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

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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).