5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

C17H15N3O3S — CID 135446345

IUPAC5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O)c1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-10(11-6-3-2-4-7-11)18-16(22)13-14(21)17(23)20-15(19-13)12-8-5-9-24-12/h2-10,21H,1H3,(H,18,22)(H,19,20,23)/t10-/m0/s1
InChIKeyFRDNZLBZRSXHGJ-JTQLQIEISA-N
MW341.39 g/mol
LogP2.69
Rot. Bonds4

About 5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135446345) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135446345
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O)c1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-10(11-6-3-2-4-7-11)18-16(22)13-14(21)17(23)20-15(19-13)12-8-5-9-24-12/h2-10,21H,1H3,(H,18,22)(H,19,20,23)/t10-/m0/s1
InChIKeyFRDNZLBZRSXHGJ-JTQLQIEISA-N
XLogP2.69
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-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-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135446345) is 5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is C[C@H](NC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O)c1ccccc1.
What is the InChIKey of 5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is FRDNZLBZRSXHGJ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-10(11-6-3-2-4-7-11)18-16(22)13-14(21)17(23)20-15(19-13)12-8-5-9-24-12/h2-10,21H,1H3,(H,18,22)(H,19,20,23)/t10-/m0/s1.
What are the key properties of 5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
5-hydroxy-6-oxo-N-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.69, 4 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-[(1S)-1-phenylethyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).