2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

C13H13ClN2O2S — CID 10756389

IUPAC2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1sc(Nc2ccc(Cl)cc2)nc1C(=O)O
InChIInChI=1S/C13H13ClN2O2S/c1-7(2)11-10(12(17)18)16-13(19-11)15-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyZAPSUKMYZCYASS-UHFFFAOYSA-N
MW296.78 g/mol
LogP4.36
Rot. Bonds4

About 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 10756389) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID10756389
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1sc(Nc2ccc(Cl)cc2)nc1C(=O)O
InChIInChI=1S/C13H13ClN2O2S/c1-7(2)11-10(12(17)18)16-13(19-11)15-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyZAPSUKMYZCYASS-UHFFFAOYSA-N
XLogP4.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 10851198
2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 2764077
5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
CID 46234659
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 28969994
5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
CID 113306721
2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid
CID 82065114
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
5-[4-(4-chlorophenyl)anilino]-2H-triazole-4-carboxylic acid
CID 155250361
2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423504
5-(carboxymethyl)-2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid
CID 10425688
5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid
CID 106696737

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (CID 10756389) is 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is CC(C)c1sc(Nc2ccc(Cl)cc2)nc1C(=O)O.
What is the InChIKey of 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZAPSUKMYZCYASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-7(2)11-10(12(17)18)16-13(19-11)15-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 296.78 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 10756389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).