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

C16H12FN3O3S — CID 135601971

IUPACN-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C16H12FN3O3S/c17-10-4-1-3-9(7-10)8-18-15(22)12-13(21)16(23)20-14(19-12)11-5-2-6-24-11/h1-7,21H,8H2,(H,18,22)(H,19,20,23)
InChIKeyJKZKDZIHUSQGMT-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.27
Rot. Bonds4

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

N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135601971) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135601971
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC NameN-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C16H12FN3O3S/c17-10-4-1-3-9(7-10)8-18-15(22)12-13(21)16(23)20-14(19-12)11-5-2-6-24-11/h1-7,21H,8H2,(H,18,22)(H,19,20,23)
InChIKeyJKZKDZIHUSQGMT-UHFFFAOYSA-N
XLogP2.27
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-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

Related Compounds

N-(4-fluorobenzyl)-5,6-dihydroxy-2-thien-2-ylpyrimidine-4-carboxamide
CID 135520683
N-(benzothiophen-2-ylmethyl)-5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601805
N-[(3,4-dichlorophenyl)methyl]-5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601908
N-benzyl-5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135602095
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(2-methylthiolan-2-yl)-6-oxopyrimidine-4-carboxamide
CID 58894053
5,6-dihydroxy-N-[(1S)-1-phenylethyl]-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135446345
5,6-dihydroxy-N-(o-tolylmethyl)-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601735
5,6-dihydroxy-N-(m-tolylmethyl)-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601751
5,6-dihydroxy-N-(p-tolylmethyl)-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601762
5,6-dihydroxy-N-[(2-phenylphenyl)methyl]-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601794
5,6-dihydroxy-N-[(3-phenylphenyl)methyl]-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601798
N-(benzothiophen-3-ylmethyl)-5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135601806

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135601971) is N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCc1cccc(F)c1)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is JKZKDZIHUSQGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c17-10-4-1-3-9(7-10)8-18-15(22)12-13(21)16(23)20-14(19-12)11-5-2-6-24-11/h1-7,21H,8H2,(H,18,22)(H,19,20,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).