Methyl 2-aminobenzo[d]thiazole-5-carboxylate - CAS 209459-07-4

Catalog:	BB016446
Product Name:	Methyl 2-aminobenzo[d]thiazole-5-carboxylate
CAS:	209459-07-4
Synonyms:	methyl 2-amino-1,3-benzothiazole-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-1,3-benzothiazole-5-carboxylate
Description:	Methyl 2-aminobenzo[d]thiazole-5-carboxylate (CAS# 209459-07-4) is a useful research chemical.
Molecular Weight:	208.24
Molecular Formula:	C9H8N2O2S
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)SC(=N2)N
InChI:	InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-7-6(4-5)11-9(10)14-7/h2-4H,1H3,(H2,10,11)
InChI Key:	VFVMLBHOCLBUOG-UHFFFAOYSA-N
Purity:	95 %
MDL:	MFCD09263763
LogP:	2.24630

Publication Number	Title	Priority Date
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-2018291021-A1	Pdd compounds	20150821
US-2018339985-A1	Pdd compounds	20150821

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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