chempirical

2-Phenyl-4-carboxythiazole

C10H7NO2SCAS 7113-10-2205.23 g/mol

Open in Covalent MOL file
NSOOH
Carboxylic acid

Properties

Molecular formula
C10H7NO2S
Molar mass
205.23 g/mol
Exact mass
205.0197 Da
logP
2.51Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7113-10-2
SMILES
C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O
InChIKey
IBUSLNJQKLZPNR-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2-Phenyl-1,3-thiazole-4-carboxylic acid

Work with 2-Phenyl-4-carboxythiazole

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

2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid21278-86-474 % similar (2-Phenyl-thiazol-4-yl)-acetic acid16441-28-454 % similar 6-Phenylpyridine-2-carboxylic acid39774-28-253 % similar 2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-251 % similar 2-Aminothiazole-4-carboxylic acid40283-41-851 % similar 2-Chloro-1,3-thiazole-4-carboxylic acid5198-87-851 % similar 2-Bromo-4-thiazolecarboxylic acid5198-88-951 % similar 4-Methyl-2-phenyl-thiazole-5-carboxylic acid33763-20-150 % similar

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

Same formula

5-(2-Pyridyl)thiophene-2-carboxylic acid119082-97-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook