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

C14H16N2O3S — CID 10851198

IUPAC2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2nc(C(=O)O)c(C(C)C)s2)cc1
InChIInChI=1S/C14H16N2O3S/c1-8(2)12-11(13(17)18)16-14(20-12)15-9-4-6-10(19-3)7-5-9/h4-8H,1-3H3,(H,15,16)(H,17,18)
InChIKeyBYQCPHKJCIEZIZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.72
Rot. Bonds5

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

2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 10851198) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID10851198
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2nc(C(=O)O)c(C(C)C)s2)cc1
InChIInChI=1S/C14H16N2O3S/c1-8(2)12-11(13(17)18)16-14(20-12)15-9-4-6-10(19-3)7-5-9/h4-8H,1-3H3,(H,15,16)(H,17,18)
InChIKeyBYQCPHKJCIEZIZ-UHFFFAOYSA-N
XLogP3.72
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 10756389
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502
5-acetyl-2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 106697969
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
methyl 5-acetyl-2-(4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106696803
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 28969994
5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 46234817
methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87301133
4-methyl-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-5-carboxylic acid
CID 75176671
2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453545
2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453488

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (CID 10851198) is 2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is COc1ccc(Nc2nc(C(=O)O)c(C(C)C)s2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is BYQCPHKJCIEZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8(2)12-11(13(17)18)16-14(20-12)15-9-4-6-10(19-3)7-5-9/h4-8H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 10851198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).