7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide

C11H12N2S3 — CID 142218374

IUPAC7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide
SMILESCCCn1cc(C(N)=S)c(=S)c2ccsc21
InChIInChI=1S/C11H12N2S3/c1-2-4-13-6-8(10(12)15)9(14)7-3-5-16-11(7)13/h3,5-6H,2,4H2,1H3,(H2,12,15)
InChIKeyUCJLMXMRCRJACA-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.48
Rot. Bonds3

About 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide

7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide (PubChem CID 142218374) has the molecular formula C11H12N2S3 and a molecular weight of 268.43 g/mol. Its IUPAC name is 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide.

Molecular Properties

Compound Name7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide
PubChem CID142218374
Molecular FormulaC11H12N2S3
Molecular Weight268.43 g/mol
Exact Mass268.02
IUPAC Name7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide
SMILESCCCn1cc(C(N)=S)c(=S)c2ccsc21
InChIInChI=1S/C11H12N2S3/c1-2-4-13-6-8(10(12)15)9(14)7-3-5-16-11(7)13/h3,5-6H,2,4H2,1H3,(H2,12,15)
InChIKeyUCJLMXMRCRJACA-UHFFFAOYSA-N
XLogP3.48
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide 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 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide?
The IUPAC name of 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide (CID 142218374) is 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide.
What is the SMILES notation for 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide?
The canonical SMILES for 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide is CCCn1cc(C(N)=S)c(=S)c2ccsc21.
What is the InChIKey of 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide?
The InChIKey is UCJLMXMRCRJACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S3/c1-2-4-13-6-8(10(12)15)9(14)7-3-5-16-11(7)13/h3,5-6H,2,4H2,1H3,(H2,12,15).
What are the key properties of 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide?
7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide has a molecular weight of 268.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide is sourced from PubChem (CID 142218374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).