Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate - CAS 19749-93-0

Catalog:	BB015256
Product Name:	Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
CAS:	19749-93-0
Synonyms:	ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetate

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Computed Properties

IUPAC Name:	ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetate
Description:	Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate (CAS# 19749-93-0) is a useful research chemical.
Molecular Weight:	262.71
Molecular Formula:	C9H11ClN2O3S
Canonical SMILES:	CCOC(=O)CC1=CSC(=N1)NC(=O)CCl
InChI:	InChI=1S/C9H11ClN2O3S/c1-2-15-8(14)3-6-5-16-9(11-6)12-7(13)4-10/h5H,2-4H2,1H3,(H,11,12,13)
InChI Key:	HIQNYVMHIBFTCT-UHFFFAOYSA-N
Density:	1.413 g/cm³
MDL:	MFCD00274638
LogP:	1.49900

Publication Number	Title	Priority Date
CN-113512058-A	Zwitterionic liquid silane coupling agent, synthetic method and application thereof	20210810
MX-2013001910-A	SYNTHESIS OF PAMAM TYPE DENDRIMEROS WITH PORFIRINA CENTER VIA MICROONDAS AND ITS USE FOR THE REMOVAL OF HEAVY METAL CATIONS CONTAINED IN THE WATER.	20130218
US-2005227933-A1	Treatment of bacterial induced diseases using DNA methyl transferase inhibitors	20011129
CA-2389034-A1	Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation	19991027
EP-1224186-A2	Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation	19991027

PMID	Publication Date	Title	Journal
10918953	20000601	Synthesis and antimicrobial activity of 4-carbethoxymethyl-2-[(alpha-haloacyl)amino] thiazoles and 5-nonsubstituted/substituted 2-[(4-carbethoxymethylthiazol-2-yl)imino]-4-thiazolidinones	Arzneimittel-Forschung

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.0178911
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	262.0178911
Rotatable Bond Count:	6
Topological Polar Surface Area:	96.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3