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

C19H14N4O3S2 — CID 135971642

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

5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135971642) has the molecular formula C19H14N4O3S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
• PubChem CID: 135971642
• Molecular Formula: C19H14N4O3S2
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.05
• IUPAC Name: 5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
• SMILES: O=C(NCc1nc(-c2ccccc2)cs1)c1nc(-c2cccs2)[nH]c(=O)c1O
• InChI: InChI=1S/C19H14N4O3S2/c24-16-15(22-17(23-19(16)26)13-7-4-8-27-13)18(25)20-9-14-21-12(10-28-14)11-5-2-1-3-6-11/h1-8,10,24H,9H2,(H,20,25)(H,22,23,26)
• InChIKey: NPAVNWUOUKDPKW-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135971642) is 5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

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

The canonical SMILES for 5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCc1nc(-c2ccccc2)cs1)c1nc(-c2cccs2)[nH]c(=O)c1O.

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

The InChIKey is NPAVNWUOUKDPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S2/c24-16-15(22-17(23-19(16)26)13-7-4-8-27-13)18(25)20-9-14-21-12(10-28-14)11-5-2-1-3-6-11/h1-8,10,24H,9H2,(H,20,25)(H,22,23,26).

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

5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135971642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).