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

C15H18N2O2S — CID 82065229

IUPAC2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(Nc2ccc(C)cc2C)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-4-5-12-13(14(18)19)20-15(17-12)16-11-7-6-9(2)8-10(11)3/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXSJJXJHIQDRPRC-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.15
Rot. Bonds5

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

2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82065229) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID82065229
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(Nc2ccc(C)cc2C)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-4-5-12-13(14(18)19)20-15(17-12)16-11-7-6-9(2)8-10(11)3/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXSJJXJHIQDRPRC-UHFFFAOYSA-N
XLogP4.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065210
2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065234
4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 82065165
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
methyl 5-acetyl-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxylate
CID 106696789
ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526403
2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760915
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 53365539
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359639
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 82065229) is 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(Nc2ccc(C)cc2C)sc1C(=O)O.
What is the InChIKey of 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is XSJJXJHIQDRPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-5-12-13(14(18)19)20-15(17-12)16-11-7-6-9(2)8-10(11)3/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82065229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).