N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide

C11H9N3OS2 — CID 2894202

IUPACN-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccnc1)c1cccs1
InChIInChI=1S/C11H9N3OS2/c15-10(9-4-2-6-17-9)14-11(16)13-8-3-1-5-12-7-8/h1-7H,(H2,13,14,15,16)
InChIKeyKTZLMMCIMKRYOJ-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.27
Rot. Bonds2

About N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide

N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide (PubChem CID 2894202) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide
PubChem CID2894202
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC NameN-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccnc1)c1cccs1
InChIInChI=1S/C11H9N3OS2/c15-10(9-4-2-6-17-9)14-11(16)13-8-3-1-5-12-7-8/h1-7H,(H2,13,14,15,16)
InChIKeyKTZLMMCIMKRYOJ-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(pyridin-3-ylcarbamothioyl)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-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide (CID 2894202) is N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide is O=C(NC(=S)Nc1cccnc1)c1cccs1.
What is the InChIKey of N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide?
The InChIKey is KTZLMMCIMKRYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c15-10(9-4-2-6-17-9)14-11(16)13-8-3-1-5-12-7-8/h1-7H,(H2,13,14,15,16).
What are the key properties of N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide?
N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide has a molecular weight of 263.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylcarbamothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 2894202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).