3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C14H11N5OS2 — CID 11290410

IUPAC3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1nc2sc(C(N)=O)c(N)c2c(-c2cccs2)c1C#N
InChIInChI=1S/C14H11N5OS2/c1-18-13-6(5-15)8(7-3-2-4-21-7)9-10(16)11(12(17)20)22-14(9)19-13/h2-4H,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyPFTMGTWYAQZOJY-UHFFFAOYSA-N
MW329.41 g/mol
LogP2.62
Rot. Bonds3

About 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11290410) has the molecular formula C14H11N5OS2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID11290410
Molecular FormulaC14H11N5OS2
Molecular Weight329.41 g/mol
Exact Mass329.04
IUPAC Name3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1nc2sc(C(N)=O)c(N)c2c(-c2cccs2)c1C#N
InChIInChI=1S/C14H11N5OS2/c1-18-13-6(5-15)8(7-3-2-4-21-7)9-10(16)11(12(17)20)22-14(9)19-13/h2-4H,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyPFTMGTWYAQZOJY-UHFFFAOYSA-N
XLogP2.62
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-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 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 11290410) is 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is CNc1nc2sc(C(N)=O)c(N)c2c(-c2cccs2)c1C#N.
What is the InChIKey of 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PFTMGTWYAQZOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS2/c1-18-13-6(5-15)8(7-3-2-4-21-7)9-10(16)11(12(17)20)22-14(9)19-13/h2-4H,16H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11290410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).