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

C14H16N2O3S — CID 82065234

IUPAC2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(Nc2ccccc2OC)sc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-3-6-10-12(13(17)18)20-14(16-10)15-9-7-4-5-8-11(9)19-2/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHQVHQDOXXQAMAM-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.55
Rot. Bonds6

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

2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82065234) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID82065234
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(Nc2ccccc2OC)sc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-3-6-10-12(13(17)18)20-14(16-10)15-9-7-4-5-8-11(9)19-2/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHQVHQDOXXQAMAM-UHFFFAOYSA-N
XLogP3.55
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065210
2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065229
N-(2-methoxyphenyl)-4-phenyl-5-propyl-1,3-thiazol-2-amine
CID 672840
2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylic acid;N-[(2-methylphenyl)methyl]thiohydroxylamine
CID 87748302
4-butyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227157
2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide
CID 11989886
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885485
[4-amino-2-(2-methoxyanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 50761442
N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 11989668
[(2S)-2,4-dibenzylpiperazin-1-yl]-[2-(2-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 11989770
2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11989670

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 82065234) is 2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(Nc2ccccc2OC)sc1C(=O)O.
What is the InChIKey of 2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HQVHQDOXXQAMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-6-10-12(13(17)18)20-14(16-10)15-9-7-4-5-8-11(9)19-2/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82065234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).