N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C15H11F3N4O2S — CID 91632377

IUPACN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)11-2-1-9(7-20-11)13(23)19-4-5-22-8-21-10-3-6-25-12(10)14(22)24/h1-3,6-8H,4-5H2,(H,19,23)
InChIKeyLRVOUOITKVPUPK-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 91632377) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID91632377
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC NameN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)11-2-1-9(7-20-11)13(23)19-4-5-22-8-21-10-3-6-25-12(10)14(22)24/h1-3,6-8H,4-5H2,(H,19,23)
InChIKeyLRVOUOITKVPUPK-UHFFFAOYSA-N
XLogP2.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-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 N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 91632377) is N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCCn1cnc2ccsc2c1=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LRVOUOITKVPUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c16-15(17,18)11-2-1-9(7-20-11)13(23)19-4-5-22-8-21-10-3-6-25-12(10)14(22)24/h1-3,6-8H,4-5H2,(H,19,23).
What are the key properties of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 368.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91632377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).