N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide

C13H9N3OS2 — CID 3567576

IUPACN-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccc(-c2cccs2)n1)c1cccs1
InChIInChI=1S/C13H9N3OS2/c17-12(11-4-2-8-19-11)16-13-14-6-5-9(15-13)10-3-1-7-18-10/h1-8H,(H,14,15,16,17)
InChIKeyAZPDTMBAEFJXAF-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.52
Rot. Bonds3

About N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide

N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide (PubChem CID 3567576) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide
PubChem CID3567576
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC NameN-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccc(-c2cccs2)n1)c1cccs1
InChIInChI=1S/C13H9N3OS2/c17-12(11-4-2-8-19-11)16-13-14-6-5-9(15-13)10-3-1-7-18-10/h1-8H,(H,14,15,16,17)
InChIKeyAZPDTMBAEFJXAF-UHFFFAOYSA-N
XLogP3.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-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-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide (CID 3567576) is N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide is O=C(Nc1nccc(-c2cccs2)n1)c1cccs1.
What is the InChIKey of N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide?
The InChIKey is AZPDTMBAEFJXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c17-12(11-4-2-8-19-11)16-13-14-6-5-9(15-13)10-3-1-7-18-10/h1-8H,(H,14,15,16,17).
What are the key properties of N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide?
N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-thiophen-2-ylpyrimidin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3567576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).