5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide

C10H6F3N3O5S2 — CID 135430587

IUPAC5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C10H6F3N3O5S2/c11-10(12,13)23(20,21)16-8(18)5-6(17)9(19)15-7(14-5)4-2-1-3-22-4/h1-3,17H,(H,16,18)(H,14,15,19)
InChIKeyLCJZWPYCBLLWFC-UHFFFAOYSA-N
MW369.30 g/mol
LogP0.78
Rot. Bonds3

About 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide

5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide (PubChem CID 135430587) has the molecular formula C10H6F3N3O5S2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide
PubChem CID135430587
Molecular FormulaC10H6F3N3O5S2
Molecular Weight369.30 g/mol
Exact Mass368.97
IUPAC Name5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C10H6F3N3O5S2/c11-10(12,13)23(20,21)16-8(18)5-6(17)9(19)15-7(14-5)4-2-1-3-22-4/h1-3,17H,(H,16,18)(H,14,15,19)
InChIKeyLCJZWPYCBLLWFC-UHFFFAOYSA-N
XLogP0.78
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-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-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide (CID 135430587) is 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide is O=C(NS(=O)(=O)C(F)(F)F)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is LCJZWPYCBLLWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O5S2/c11-10(12,13)23(20,21)16-8(18)5-6(17)9(19)15-7(14-5)4-2-1-3-22-4/h1-3,17H,(H,16,18)(H,14,15,19).
What are the key properties of 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide?
5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 369.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(trifluoromethylsulfonyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135430587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).