4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole

C15H12N2S — CID 715106

IUPAC4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C15H12N2S/c1-11-2-4-12(5-3-11)14-10-18-15(17-14)13-6-8-16-9-7-13/h2-10H,1H3
InChIKeyWHGCQPQZQBCMTM-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.18
Rot. Bonds2

About 4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole

4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 715106) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID715106
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C15H12N2S/c1-11-2-4-12(5-3-11)14-10-18-15(17-14)13-6-8-16-9-7-13/h2-10H,1H3
InChIKeyWHGCQPQZQBCMTM-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.18
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-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole (CID 715106) is 4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole is Cc1ccc(-c2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is WHGCQPQZQBCMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-11-2-4-12(5-3-11)14-10-18-15(17-14)13-6-8-16-9-7-13/h2-10H,1H3.
What are the key properties of 4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole?
4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 252.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 715106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).