Dimethyl-1,3-thiazole-5-carboxylic acid

C₆H₇NO₂SCAS 53137-27-2157.19 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₆H₇NO₂S
Molar mass: 157.19 g/mol
Exact mass: 157.0197 Da
logP: 1.46Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

53137-27-2

SMILES

CC1=C(SC(=N1)C)C(=O)O

InChIKey

MQGBARXPCXAFRZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)

Weigh it out

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

Names and synonyms

1 names

2,4-Dimethylthiazole-5-carboxylic acid

Work with Dimethyl-1,3-thiazole-5-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-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-664 % similar 5-Acetyl-2,4-dimethylthiazole38205-60-659 % similar 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid117724-63-758 % similar 4-Methyl-2-phenyl-thiazole-5-carboxylic acid33763-20-155 % similar 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid18212-21-050 % similar Ethyl 2,4-dimethylthiazole-5-carboxylate7210-77-750 % similar 4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid39091-01-549 % similar 4-Methylthiazole-5-carboxylic acid20485-41-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(αR)-α-Amino-3-thiopheneacetic acid1194-86-1 3-(2-Thiazolyl)propionic acid144163-65-5 Ethyl 1,3-thiazole-4-carboxylate14527-43-6 α-Amino-2-thiopheneacetic acid21124-40-3 Methyl 3-aminothiophene-2-carboxylate22288-78-4 Ethyl thiazole-5-carboxylate32955-22-9 (S)-2-Thienylglycine43189-45-3 Methyl 2-amino-3-thiophenecarboxylate4651-81-4

Elsewhere

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