2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one

C18H13N3OS — CID 828456

IUPAC2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2nccs2)cc1
InChIInChI=1S/C18H13N3OS/c1-12-6-8-13(9-7-12)16-20-15-5-3-2-4-14(15)17(22)21(16)18-19-10-11-23-18/h2-11H,1H3
InChIKeyOFOCYFHKXGXVAH-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.82
Rot. Bonds2

About 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one

2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one (PubChem CID 828456) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one
PubChem CID828456
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2nccs2)cc1
InChIInChI=1S/C18H13N3OS/c1-12-6-8-13(9-7-12)16-20-15-5-3-2-4-14(15)17(22)21(16)18-19-10-11-23-18/h2-11H,1H3
InChIKeyOFOCYFHKXGXVAH-UHFFFAOYSA-N
XLogP3.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one (CID 828456) is 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)n2-c2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one?
The InChIKey is OFOCYFHKXGXVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-12-6-8-13(9-7-12)16-20-15-5-3-2-4-14(15)17(22)21(16)18-19-10-11-23-18/h2-11H,1H3.
What are the key properties of 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one?
2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one has a molecular weight of 319.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one is sourced from PubChem (CID 828456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).