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

C8H10N2OS — CID 18377398

IUPAC4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(s1)CCNC2
InChIInChI=1S/C8H10N2OS/c9-8(11)7-3-5-4-10-2-1-6(5)12-7/h3,10H,1-2,4H2,(H2,9,11)
InChIKeyANKLNNCOMMHGOL-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.49
Rot. Bonds1

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

4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 18377398) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
PubChem CID18377398
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(s1)CCNC2
InChIInChI=1S/C8H10N2OS/c9-8(11)7-3-5-4-10-2-1-6(5)12-7/h3,10H,1-2,4H2,(H2,9,11)
InChIKeyANKLNNCOMMHGOL-UHFFFAOYSA-N
XLogP0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (CID 18377398) is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is NC(=O)c1cc2c(s1)CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is ANKLNNCOMMHGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-8(11)7-3-5-4-10-2-1-6(5)12-7/h3,10H,1-2,4H2,(H2,9,11).
What are the key properties of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 18377398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).