CAS 57634-55-6 | 4-(2-Amino-4-thiazolyl)phenol | CAS Number 57634-55-6

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57634-55-6 | 4-(2-Amino-4-thiazolyl)phenol

CAS No: 57634-55-6 Catalog No: AG003JYV MDL No:MFCD01624171

Product Description

Catalog Number:

AG003JYV

Chemical Name:

4-(2-Amino-4-thiazolyl)phenol

CAS Number:

57634-55-6

Molecular Formula:

C9H8N2OS

Molecular Weight:

192.2376

MDL Number:

MFCD01624171

IUPAC Name:

4-(2-amino-1,3-thiazol-4-yl)phenol

InChI:

InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)

InChI Key:

QGSJYYIRAFRPIT-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)c1csc(n1)N

NSC Number:

405294

Properties

Complexity:

171

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.236g/mol

Monoisotopic Mass:

192.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.	Journal of medicinal chemistry 20090813
One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.	Journal of medicinal chemistry 20090723
A library of novel allosteric inhibitors against fructose 1,6-bisphosphatase.	Bioorganic & medicinal chemistry 20090601