4-(thiophen-3-ylamino)pyridine-2-carbothioamide

C10H9N3S2 — CID 66356058

IUPAC4-(thiophen-3-ylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(Nc2ccsc2)ccn1
InChIInChI=1S/C10H9N3S2/c11-10(14)9-5-7(1-3-12-9)13-8-2-4-15-6-8/h1-6H,(H2,11,14)(H,12,13)
InChIKeyWDZYIJORYGXKNB-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.52
Rot. Bonds3

About 4-(thiophen-3-ylamino)pyridine-2-carbothioamide

4-(thiophen-3-ylamino)pyridine-2-carbothioamide (PubChem CID 66356058) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 4-(thiophen-3-ylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(thiophen-3-ylamino)pyridine-2-carbothioamide
PubChem CID66356058
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name4-(thiophen-3-ylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(Nc2ccsc2)ccn1
InChIInChI=1S/C10H9N3S2/c11-10(14)9-5-7(1-3-12-9)13-8-2-4-15-6-8/h1-6H,(H2,11,14)(H,12,13)
InChIKeyWDZYIJORYGXKNB-UHFFFAOYSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-3-ylamino)pyridine-2-carbothioamide?
The IUPAC name of 4-(thiophen-3-ylamino)pyridine-2-carbothioamide (CID 66356058) is 4-(thiophen-3-ylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(thiophen-3-ylamino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(thiophen-3-ylamino)pyridine-2-carbothioamide is NC(=S)c1cc(Nc2ccsc2)ccn1.
What is the InChIKey of 4-(thiophen-3-ylamino)pyridine-2-carbothioamide?
The InChIKey is WDZYIJORYGXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c11-10(14)9-5-7(1-3-12-9)13-8-2-4-15-6-8/h1-6H,(H2,11,14)(H,12,13).
What are the key properties of 4-(thiophen-3-ylamino)pyridine-2-carbothioamide?
4-(thiophen-3-ylamino)pyridine-2-carbothioamide has a molecular weight of 235.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-3-ylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 66356058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).