2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid

C9H6N2O2SCAS 21278-86-4206.22 g/mol

Open in Covalent MOL file
NNSOHO
Carboxylic acid

Properties

Molecular formula
C9H6N2O2S
Molar mass
206.22 g/mol
Exact mass
206.0150 Da
logP
1.90Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
21278-86-4
SMILES
C1=CN=CC=C1C2=NC(=CS2)C(=O)O
InChIKey
COOQMBOJAAZEIR-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • 2-(4-Pyridyl)thiazole-4-carboxylic acid

Work with 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid

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-Phenyl-4-carboxythiazole7113-10-274 % similar 2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-250 % similar 2-Aminothiazole-4-carboxylic acid40283-41-850 % similar 2-Chloro-1,3-thiazole-4-carboxylic acid5198-87-850 % similar 2-Bromo-4-thiazolecarboxylic acid5198-88-950 % similar 4-(Pyridin-4-yl)benzoic acid4385-76-649 % similar Isonicotinic acid55-22-146 % similar 4-Pyrimidinecarboxylic acid31462-59-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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