Methyl 2-Aminobenzothiazole-6-carboxylate - CAS 66947-92-0

Catalog:	BB033150
Product Name:	Methyl 2-Aminobenzothiazole-6-carboxylate
CAS:	66947-92-0
Synonyms:	2-amino-1,3-benzothiazole-6-carboxylic acid methyl ester; methyl 2-amino-1,3-benzothiazole-6-carboxylate

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	methyl 2-amino-1,3-benzothiazole-6-carboxylate
Description:	Methyl 2-Aminobenzothiazole-6-carboxylate (CAS# 66947-92-0) is a reactant in the preparation of azo-metal chelate dyes.
Molecular Weight:	208.24
Molecular Formula:	C9H8N2O2S
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)N=C(S2)N
InChI:	InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)
InChI Key:	DNGZINUIRBDWED-UHFFFAOYSA-N
Boiling Point:	378.4 °C at 760 mmHg
Density:	1.422 g/cm³
LogP:	2.24630

Publication Number	Title	Priority Date
WO-2021066922-A1	Antiviral heterocyclic compounds	20191004
WO-2020048949-A1	New class of dna gyrase and/or topoisomerase iv inhibitors with activity against gram-positive and gram-negative bacteria	20180903
EP-3847172-A1	New class of dna gyrase and/or topoisomerase iv inhibitors with activity against gram-positive and gram-negative bacteria	20180903
US-2021323957-A1	New class of dna gyrase and/or topoisomerase iv inhibitors with activity against gram-positive and gram-negative bacteria	20180903
US-2020071316-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180809

PMID	Publication Date	Title	Journal
19527033	20090723	One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.03064868
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.03064868
Rotatable Bond Count:	2
Topological Polar Surface Area:	93.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9