2-Amino-4-(2-bromophenyl)thiazole - CAS 103965-99-7

Catalog:	BB001275
Product Name:	2-Amino-4-(2-bromophenyl)thiazole
CAS:	103965-99-7
Synonyms:	4-(2-bromophenyl)-2-thiazolamine; 4-(2-bromophenyl)-1,3-thiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-(2-bromophenyl)-1,3-thiazol-2-amine
Description:	2-Amino-4-(2-bromophenyl)thiazole (CAS# 103965-99-7) is a useful intermediate for the synthesis and screening of 2-aminothiazoles as antimicrobials focusing on MRSA.
Molecular Weight:	255.13
Molecular Formula:	C9H7BrN2S
Canonical SMILES:	C1=CC=C(C(=C1)C2=CSC(=N2)N)Br
InChI:	InChI=1S/C9H7BrN2S/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChI Key:	HBAOQMFTWSDKDV-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
LogP:	3.73600

Publication Number	Title	Priority Date
WO-2021155316-A1	Compounds and uses thereof	20200129
CN-110845437-A	Method for preparing 2-aminothiazole compound	20191113
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

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.95133
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.95133
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3