4-(4-methylphenyl)-2-phenyl-1,3-thiazole

C16H13NS — CID 715103

IUPAC4-(4-methylphenyl)-2-phenyl-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13NS/c1-12-7-9-13(10-8-12)15-11-18-16(17-15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyRGQZKXSQOVPMHZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.79
Rot. Bonds2

About 4-(4-methylphenyl)-2-phenyl-1,3-thiazole

4-(4-methylphenyl)-2-phenyl-1,3-thiazole (PubChem CID 715103) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-phenyl-1,3-thiazole
PubChem CID715103
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name4-(4-methylphenyl)-2-phenyl-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13NS/c1-12-7-9-13(10-8-12)15-11-18-16(17-15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyRGQZKXSQOVPMHZ-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-methylphenyl)-2-phenyl-1,3-thiazole 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 4-(4-methylphenyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-phenyl-1,3-thiazole (CID 715103) is 4-(4-methylphenyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-phenyl-1,3-thiazole is Cc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-phenyl-1,3-thiazole?
The InChIKey is RGQZKXSQOVPMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-12-7-9-13(10-8-12)15-11-18-16(17-15)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 4-(4-methylphenyl)-2-phenyl-1,3-thiazole?
4-(4-methylphenyl)-2-phenyl-1,3-thiazole has a molecular weight of 251.35 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 715103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).