4-(1-Methylethyl)-2-thiazolecarboxylic acid

C₇H₉NO₂SCAS 300831-06-5171.21 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₉NO₂S
Molar mass: 171.21 g/mol
Exact mass: 171.0354 Da
logP: 1.96Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

300831-06-5

SMILES

CC(C)c1csc(C(=O)O)n1

InChIKey

RDWHKWXYJQUZNS-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO2S/c1-4(2)5-3-11-6(8-5)7(9)10/h3-4H,1-2H3,(H,9,10)

Weigh it out

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

Names and synonyms

2 names

2-Thiazolecarboxylic acid, 4-(1-methylethyl)-
4-Isopropylthiazole-2-carboxylic acid

Work with 4-(1-Methylethyl)-2-thiazolecarboxylic 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

4-Methyl-2-thiazolecarboxylic acid14542-16-659 % similar 4-Bromo-1,3-thiazole-2-carboxylic acid88982-82-554 % similar 4-(Trifluoromethyl)thiazole-2-carboxylic acid944900-55-450 % similar 2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-242 % similar Thiazole-2-carboxylic acid14190-59-142 % similar 4-Isopropylbenzoic acid536-66-341 % similar 5-(Propan-2-yl)-1H-pyrazole-3-carboxylic acid92933-47-640 % similar 2-Aminothiazole-4-carboxylic acid40283-41-838 % similar

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

Same formula

N-Phenylmethanesulfonamide1197-22-4 (R)-2-Amino-3-(thiophen-3-yl)propanoic acid152612-26-5 2-Thienylalanine2021-58-1 Ethyl 4-methylthiazole-5-carboxylate20582-55-2 L-2-Thienylalanine22951-96-8 Ethyl 2-aminothiophene-3-carboxylate31891-06-2 3-(Methylsulphonyl)aniline35216-39-8 (αS)-α-Amino-3-thiophenepropanoic acid3685-51-6

Elsewhere

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