N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide

C15H10FN3O2S — CID 110332039

IUPACN-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)[nH]c(=O)n1
InChIInChI=1S/C15H10FN3O2S/c16-9-3-5-10(6-4-9)17-14(20)12-8-11(18-15(21)19-12)13-2-1-7-22-13/h1-8H,(H,17,20)(H,18,19,21)
InChIKeyIJQACQIJUFWIBO-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.89
Rot. Bonds3

About N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide

N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 110332039) has the molecular formula C15H10FN3O2S and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID110332039
Molecular FormulaC15H10FN3O2S
Molecular Weight315.33 g/mol
Exact Mass315.05
IUPAC NameN-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)[nH]c(=O)n1
InChIInChI=1S/C15H10FN3O2S/c16-9-3-5-10(6-4-9)17-14(20)12-8-11(18-15(21)19-12)13-2-1-7-22-13/h1-8H,(H,17,20)(H,18,19,21)
InChIKeyIJQACQIJUFWIBO-UHFFFAOYSA-N
XLogP2.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-6-thiophen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrimidine-4-carboxamide
CID 110525744
N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110331977
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 110332011
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525689
2-oxo-N-[(E)-(2-propoxyphenyl)methylideneamino]-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525734
N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55746673
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525663
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525617
2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110331976
N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525719
N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751902
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 110332039) is N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)[nH]c(=O)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is IJQACQIJUFWIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2S/c16-9-3-5-10(6-4-9)17-14(20)12-8-11(18-15(21)19-12)13-2-1-7-22-13/h1-8H,(H,17,20)(H,18,19,21).
What are the key properties of N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110332039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).