5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine

C13H16N2S — CID 842835

IUPAC5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine
SMILESCCCc1ccc(-c2nc(N)sc2C)cc1
InChIInChI=1S/C13H16N2S/c1-3-4-10-5-7-11(8-6-10)12-9(2)16-13(14)15-12/h5-8H,3-4H2,1-2H3,(H2,14,15)
InChIKeyFARHNGNYUDSWBE-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.65
Rot. Bonds3

About 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine

5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine (PubChem CID 842835) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine
PubChem CID842835
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine
SMILESCCCc1ccc(-c2nc(N)sc2C)cc1
InChIInChI=1S/C13H16N2S/c1-3-4-10-5-7-11(8-6-10)12-9(2)16-13(14)15-12/h5-8H,3-4H2,1-2H3,(H2,14,15)
InChIKeyFARHNGNYUDSWBE-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_B(3)', 'substructure': 'N/A'}

Analyze 5-methyl-4-(4-propylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine (CID 842835) is 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine is CCCc1ccc(-c2nc(N)sc2C)cc1.
What is the InChIKey of 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FARHNGNYUDSWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-4-10-5-7-11(8-6-10)12-9(2)16-13(14)15-12/h5-8H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine?
5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 842835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).