2-Thiazolidinone - CAS 2682-49-7

Name: 2-Thiazolidinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019368
Product Name:	2-Thiazolidinone
CAS:	2682-49-7
Synonyms:	2-thiazolidinone; 1,3-thiazolidin-2-one

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Computed Properties

IUPAC Name:	1,3-thiazolidin-2-one
Description:	2-Thiazolidinone (CAS# 2682-49-7) is used in the synthesis of (S)-4-iso-butylthiazolidin-2-one and (S)-4-benzylthiazolidin-2-one that show inhibitive activities against Candida albicans and Escherichia coli.
Molecular Weight:	103.14
Molecular Formula:	C3H5NOS
Canonical SMILES:	C1CSC(=O)N1
InChI:	InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
InChI Key:	SLYRGJDSFOCAAI-UHFFFAOYSA-N
Boiling Point:	247.6 °C at 760 mmHg
Melting Point:	53-54°C
Flash Point:	103.5°C
Density:	1.277 g/cm³
MDL:	MFCD01332388
LogP:	0.77160
Refractive Index:	1.543

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-2021152037-A	Heterocyclic amide compound	20210611
JP-2020203897-A	Oxime-substituted amide compounds and pest control agents	20200812
JP-2020164533-A	Heterocyclic amide compound	20200529
WO-2021139595-A1	RORÎ³T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	20200106
WO-2021139599-A1	RORÎ³T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	20200106

PMID	Publication Date	Title	Journal
22840694	20120901	Synthesis, characterization and structure optimization of a series of thiazolidinone derivatives as Entamoeba histolytica inhibitors	European journal of medicinal chemistry
22721711	20120715	Discovery and modification of sulfur-containing heterocyclic pyrazoline derivatives as potential novel class of β-ketoacyl-acyl carrier protein synthase III (FabH) inhibitors	Bioorganic & medicinal chemistry letters
22546204	20120601	Recent developments and biological activities of thiazolidinone derivatives: a review	Bioorganic & medicinal chemistry
22551629	20120601	Synthesis and biological evaluation of a class of 5-benzylidene-2-phenyl-thiazolinones as potent 5-lipoxygenase inhibitors	Bioorganic & medicinal chemistry
21955369	20120401	Molecular pharmacological profile of a novel thiazolinone-based direct and selective 5-lipoxygenase inhibitor	British journal of pharmacology

Complexity:	73.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	103.00918496
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	103.00918496
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3