2-Amino-5-methyl-4-phenylthiazole - CAS 30709-67-2

Catalog:	BB020693
Product Name:	2-Amino-5-methyl-4-phenylthiazole
CAS:	30709-67-2
Synonyms:	5-methyl-4-phenyl-1,3-thiazol-2-amine

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Computed Properties

IUPAC Name:	5-methyl-4-phenyl-1,3-thiazol-2-amine
Description:	2-Amino-5-methyl-4-phenylthiazole (CAS# 30709-67-2) is a useful research chemical.
Molecular Weight:	190.26
Molecular Formula:	C10H10N2S
Canonical SMILES:	CC1=C(N=C(S1)N)C2=CC=CC=C2
InChI:	InChI=1S/C10H10N2S/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)
InChI Key:	HTXQOROHFFYFMC-UHFFFAOYSA-N
Boiling Point:	349.7 °C at 760 mmHg
Melting Point:	122-126 °C
Purity:	95 %
Density:	1.219 g/cm³
Appearance:	A crystalline solid
MDL:	MFCD00617257
LogP:	3.28190

Publication Number	Title	Priority Date
CN-110845437-A	Method for preparing 2-aminothiazole compound	20191113
US-2021205275-A1	Neuroprotective compositions and methods of using the same	20180515
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

PMID	Publication Date	Title	Journal
17165815	20061215	Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A	Analytical chemistry

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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+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.05646950
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.05646950
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7