3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide

C9H9N3OS — CID 68988136

IUPAC3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
SMILESN#Cc1c(C(N)=O)sc2c1CCNC2
InChIInChI=1S/C9H9N3OS/c10-3-6-5-1-2-12-4-7(5)14-8(6)9(11)13/h12H,1-2,4H2,(H2,11,13)
InChIKeyWNHPHWLPHXJSFE-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.36
Rot. Bonds1

About 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide

3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 68988136) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
PubChem CID68988136
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
SMILESN#Cc1c(C(N)=O)sc2c1CCNC2
InChIInChI=1S/C9H9N3OS/c10-3-6-5-1-2-12-4-7(5)14-8(6)9(11)13/h12H,1-2,4H2,(H2,11,13)
InChIKeyWNHPHWLPHXJSFE-UHFFFAOYSA-N
XLogP0.36
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide (CID 68988136) is 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide is N#Cc1c(C(N)=O)sc2c1CCNC2.
What is the InChIKey of 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is WNHPHWLPHXJSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-3-6-5-1-2-12-4-7(5)14-8(6)9(11)13/h12H,1-2,4H2,(H2,11,13).
What are the key properties of 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 207.26 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 68988136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).