2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide

C27H19ClN4O2S — CID 108809663

About 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108809663) has the molecular formula C27H19ClN4O2S and a molecular weight of 499.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
• PubChem CID: 108809663
• Molecular Formula: C27H19ClN4O2S
• Molecular Weight: 499.00 g/mol
• Exact Mass: 498.09
• IUPAC Name: 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
• SMILES: Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3cnc(-c4ccc(Cl)cc4)[nH]c3=O)cc2)cs1
• InChI: InChI=1S/C27H19ClN4O2S/c1-16-4-2-3-5-21(16)27-31-23(15-35-27)17-8-12-20(13-9-17)30-25(33)22-14-29-24(32-26(22)34)18-6-10-19(28)11-7-18/h2-15H,1H3,(H,30,33)(H,29,32,34)
• InChIKey: CWWQWOHFAQCFCF-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.00
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 108809663) is 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3cnc(-c4ccc(Cl)cc4)[nH]c3=O)cc2)cs1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide?

The InChIKey is CWWQWOHFAQCFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN4O2S/c1-16-4-2-3-5-21(16)27-31-23(15-35-27)17-8-12-20(13-9-17)30-25(33)22-14-29-24(32-26(22)34)18-6-10-19(28)11-7-18/h2-15H,1H3,(H,30,33)(H,29,32,34).

What are the key properties of 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide?

2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 499.00 g/mol, XLogP of 6.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108809663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).