5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

C15H11N3O3S — CID 135446331

IUPAC5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C15H11N3O3S/c19-12-11(14(20)16-9-5-2-1-3-6-9)17-13(18-15(12)21)10-7-4-8-22-10/h1-8,19H,(H,16,20)(H,17,18,21)
InChIKeyRHSLCAQORGTADX-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.46
Rot. Bonds3

About 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135446331) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135446331
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C15H11N3O3S/c19-12-11(14(20)16-9-5-2-1-3-6-9)17-13(18-15(12)21)10-7-4-8-22-10/h1-8,19H,(H,16,20)(H,17,18,21)
InChIKeyRHSLCAQORGTADX-UHFFFAOYSA-N
XLogP2.46
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135446331) is 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is RHSLCAQORGTADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-12-11(14(20)16-9-5-2-1-3-6-9)17-13(18-15(12)21)10-7-4-8-22-10/h1-8,19H,(H,16,20)(H,17,18,21).
What are the key properties of 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-N-phenyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).