3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C13H12N4OS2 — CID 788673

IUPAC3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3nccs3)sc2n1
InChIInChI=1S/C13H12N4OS2/c1-6-5-7(2)16-12-8(6)9(14)10(20-12)11(18)17-13-15-3-4-19-13/h3-5H,14H2,1-2H3,(H,15,17,18)
InChIKeyAYFVEDGCZPOUEK-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.20
Rot. Bonds2

About 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 788673) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID788673
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3nccs3)sc2n1
InChIInChI=1S/C13H12N4OS2/c1-6-5-7(2)16-12-8(6)9(14)10(20-12)11(18)17-13-15-3-4-19-13/h3-5H,14H2,1-2H3,(H,15,17,18)
InChIKeyAYFVEDGCZPOUEK-UHFFFAOYSA-N
XLogP3.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[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-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 788673) is 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)Nc3nccs3)sc2n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AYFVEDGCZPOUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-6-5-7(2)16-12-8(6)9(14)10(20-12)11(18)17-13-15-3-4-19-13/h3-5H,14H2,1-2H3,(H,15,17,18).
What are the key properties of 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 788673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).