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

C21H16N2S — CID 90735429

IUPAC4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2S/c1-15-7-9-17(10-8-15)20-14-24-21(23-20)19-13-22-12-11-18(19)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyOQJMAQUBLBUTFP-UHFFFAOYSA-N
MW328.44 g/mol
LogP5.85
Rot. Bonds3

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

4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole (PubChem CID 90735429) has the molecular formula C21H16N2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
PubChem CID90735429
Molecular FormulaC21H16N2S
Molecular Weight328.44 g/mol
Exact Mass328.10
IUPAC Name4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2S/c1-15-7-9-17(10-8-15)20-14-24-21(23-20)19-13-22-12-11-18(19)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyOQJMAQUBLBUTFP-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-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

Related Compounds

2-(4-ethyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 86217272
2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 91570843
5-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 173298269
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
4-(4-methyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 22049802
4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide
CID 22049680
2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol
CID 22049722
2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 2798615
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-(2-chlorophenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91378887
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole (CID 90735429) is 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3cnccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is OQJMAQUBLBUTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2S/c1-15-7-9-17(10-8-15)20-14-24-21(23-20)19-13-22-12-11-18(19)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole?
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 328.44 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 90735429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).