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

C9H13NS — CID 6485296

IUPAC4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCCC1NCCc2sccc21
InChIInChI=1S/C9H13NS/c1-2-8-7-4-6-11-9(7)3-5-10-8/h4,6,8,10H,2-3,5H2,1H3
InChIKeyURYVPKBHQRLGHP-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.34
Rot. Bonds1

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

4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 6485296) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID6485296
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCCC1NCCc2sccc21
InChIInChI=1S/C9H13NS/c1-2-8-7-4-6-11-9(7)3-5-10-8/h4,6,8,10H,2-3,5H2,1H3
InChIKeyURYVPKBHQRLGHP-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 6485296) is 4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CCC1NCCc2sccc21.
What is the InChIKey of 4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is URYVPKBHQRLGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-2-8-7-4-6-11-9(7)3-5-10-8/h4,6,8,10H,2-3,5H2,1H3.
What are the key properties of 4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 167.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 6485296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).