2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid

C15H18N2O2S — CID 115423504

IUPAC2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCc1ccc(Nc2nc(C(=O)O)c(C)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-4-5-11-6-8-12(9-7-11)16-15-17-13(14(18)19)10(2)20-15/h6-9H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLGOQYINXQOJQHC-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.24
Rot. Bonds6

About 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115423504) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115423504
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCc1ccc(Nc2nc(C(=O)O)c(C)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-4-5-11-6-8-12(9-7-11)16-15-17-13(14(18)19)10(2)20-15/h6-9H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLGOQYINXQOJQHC-UHFFFAOYSA-N
XLogP4.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-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

5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
CID 113306721
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133
2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306662
2-butyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422683
2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306940
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424811
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide
CID 30940399
6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526
ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 116526375
5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
CID 117097221

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115423504) is 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid is CCCCc1ccc(Nc2nc(C(=O)O)c(C)s2)cc1.
What is the InChIKey of 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is LGOQYINXQOJQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-4-5-11-6-8-12(9-7-11)16-15-17-13(14(18)19)10(2)20-15/h6-9H,3-5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).