Methyl 4-(2-Amino-4-thiazolyl)benzoate - CAS 206555-77-3

Name: Methyl 4-(2-Amino-4-thiazolyl)benzoate
Brand: BOC Sciences
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Catalog:	BB016136
Product Name:	Methyl 4-(2-Amino-4-thiazolyl)benzoate
CAS:	206555-77-3
Synonyms:	4-(2-amino-4-thiazolyl)benzoic acid methyl ester; methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate

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Computed Properties

IUPAC Name:	methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
Description:	Methyl 4-(2-Amino-4-thiazolyl)benzoate (CAS# 206555-77-3) is a useful research chemical.
Molecular Weight:	234.27
Molecular Formula:	C11H10N2O2S
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)N
InChI:	InChI=1S/C11H10N2O2S/c1-15-10(14)8-4-2-7(3-5-8)9-6-16-11(12)13-9/h2-6H,1H3,(H2,12,13)
InChI Key:	FKEIGGWJRUYGHR-UHFFFAOYSA-N
MDL:	MFCD03030162
LogP:	2.76010

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
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[51493-02-8]C5H10ClNO
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[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
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[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[70912-52-6]C10H13NO4
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3556755-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
WO-2019201865-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
AU-2019256670-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
IL-277866-D0	Aminothiazoles have been replaced as nucleating inhibitors	20180417
CN-112313229-A	Substituted aminothiazoles as inhibitors of nucleases	20180417

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.04629874
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.04629874
Rotatable Bond Count:	3
Topological Polar Surface Area:	93.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1