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

C20H16N4O3S2 — CID 136659435

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

5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide (PubChem CID 136659435) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
• PubChem CID: 136659435
• Molecular Formula: C20H16N4O3S2
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.07
• IUPAC Name: 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
• SMILES: O=C(NC(Cc1ccccc1)c1ccsc1)c1nc(-c2nccs2)[nH]c(=O)c1O
• InChI: InChI=1S/C20H16N4O3S2/c25-16-15(23-17(24-19(16)27)20-21-7-9-29-20)18(26)22-14(13-6-8-28-11-13)10-12-4-2-1-3-5-12/h1-9,11,14,25H,10H2,(H,22,26)(H,23,24,27)
• InChIKey: AZKGDMRKBICIEG-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide (CID 136659435) is 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide.

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

The canonical SMILES for 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide is O=C(NC(Cc1ccccc1)c1ccsc1)c1nc(-c2nccs2)[nH]c(=O)c1O.

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

The InChIKey is AZKGDMRKBICIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c25-16-15(23-17(24-19(16)27)20-21-7-9-29-20)18(26)22-14(13-6-8-28-11-13)10-12-4-2-1-3-5-12/h1-9,11,14,25H,10H2,(H,22,26)(H,23,24,27).

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

5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.37, 6 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-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136659435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).