4-butyl-N-phenyl-1,3-thiazol-2-amine

C13H16N2S — CID 141316457

IUPAC4-butyl-N-phenyl-1,3-thiazol-2-amine
SMILESCCCCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C13H16N2S/c1-2-3-7-12-10-16-13(15-12)14-11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3,(H,14,15)
InChIKeyANAGXFIOZNTULG-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.23
Rot. Bonds5

About 4-butyl-N-phenyl-1,3-thiazol-2-amine

4-butyl-N-phenyl-1,3-thiazol-2-amine (PubChem CID 141316457) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-butyl-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-butyl-N-phenyl-1,3-thiazol-2-amine
PubChem CID141316457
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-butyl-N-phenyl-1,3-thiazol-2-amine
SMILESCCCCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C13H16N2S/c1-2-3-7-12-10-16-13(15-12)14-11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3,(H,14,15)
InChIKeyANAGXFIOZNTULG-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-phenyl-1,3-thiazol-2-amine 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-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide
CID 30940399
4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine
CID 58791246
4-butyl-1,3-thiazol-2-amine;toluene
CID 174630641
4-butyl-N-[nitro(phenyl)methyl]-1,3-thiazol-2-amine
CID 174599147
2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol
CID 51254106
(2R)-2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 2376201
4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine
CID 71883940
N-(4-bromophenyl)-4-ethyl-1,3-thiazol-2-amine
CID 22347320
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 10647870
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
2-(2-anilino-1,3-thiazol-4-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27377769

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-butyl-N-phenyl-1,3-thiazol-2-amine (CID 141316457) is 4-butyl-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-butyl-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-butyl-N-phenyl-1,3-thiazol-2-amine is CCCCc1csc(Nc2ccccc2)n1.
What is the InChIKey of 4-butyl-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is ANAGXFIOZNTULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-3-7-12-10-16-13(15-12)14-11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 4-butyl-N-phenyl-1,3-thiazol-2-amine?
4-butyl-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 141316457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).