2-Amino-4-(3-bromophenyl)thiazole - CAS 105512-81-0

Catalog:	BB001658
Product Name:	2-Amino-4-(3-bromophenyl)thiazole
CAS:	105512-81-0
Synonyms:	4-(3-bromophenyl)-2-thiazolamine; 4-(3-bromophenyl)-1,3-thiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-(3-bromophenyl)-1,3-thiazol-2-amine
Description:	2-Amino-4-(3-bromophenyl)thiazole (CAS# 105512-81-0) is a useful research chemical.
Molecular Weight:	255.13
Molecular Formula:	C9H7BrN2S
Canonical SMILES:	C1=CC(=CC(=C1)Br)C2=CSC(=N2)N
InChI:	InChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChI Key:	PDNKBFMOKUBDDR-UHFFFAOYSA-N
Boiling Point:	398.8 °C at 760 mmHg
Density:	1.636 g/cm³
MDL:	MFCD00170238
LogP:	3.73600

Publication Number	Title	Priority Date
WO-2021155316-A1	Compounds and uses thereof	20200129
WO-2021155321-A2	Compounds and uses thereof	20200129
US-2020399264-A1	4-substituted-2-thiazole amides as antiviral agents	20190620
WO-2020160100-A1	Compounds and uses thereof	20190129
WO-2020160180-A1	Compounds and uses thereof	20190129

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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

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3