chempirical

4-(4-Chlorophenyl)-2-thiazolamine

C9H7ClN2SCAS 2103-99-3210.68 g/mol

Open in Covalent MOL file
HNNHClS
Aryl halide

Properties

Molecular formula
C9H7ClN2S
Molar mass
210.68 g/mol
Exact mass
210.0018 Da
Melting point
163–164 °C
logP
2.88Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
2103-99-3
SMILES
N=c1[nH]c(-c2ccc(Cl)cc2)cs1
InChIKey
DWGWNNCHJPKZNC-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)

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Names and synonyms

12 names
  • 2-Thiazolamine, 4-(4-chlorophenyl)-
  • Thiazole, 2-amino-4-(p-chlorophenyl)-
  • 2-Amino-4-(p-chlorophenyl)thiazole
  • 4-(p-Chlorophenyl)-2-aminothiazole
  • 2-Amino-4-(4-chlorophenyl)thiazole
  • T 157602
  • 4-(4′-Chlorophenyl)-2-aminothiazole
  • NSC 372682
  • 4-(4-Chlorophenyl)thiazol-2-amine
  • 4-(4-Chlorophenyl)thiazol-2-ylamine
  • 4-(4-Chlorophenyl)-1,3-thiazol-2-amine
  • 4-(4-Chlorophenyl)-2-aminothiazole

Work with 4-(4-Chlorophenyl)-2-thiazolamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[1,1′-Biphenyl]-4-yl-2-thiazolamine2834-79-966 % similar 2-Amino-4-phenylthiazole2010-06-265 % similar 2-Amino-4-(4-methoxyphenyl)thiazole2104-04-358 % similar 2-Amino-4-(2-naphthyl)thiazole21331-43-154 % similar 2-Amino-4-(P-nitrophenyl)thiazole2104-09-854 % similar 4-(1-Naphthalenyl)-2-thiazolamine56503-96-946 % similar 2-(4-Chlorophenyl)-1H-indole1211-35-439 % similar 5-Chloro-2-benzothiazolamine20358-00-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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