4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H14N2S — CID 102551191

IUPAC4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1cc(CC2NCCc3sccc32)ccn1
InChIInChI=1S/C13H14N2S/c1-5-14-6-2-10(1)9-12-11-4-8-16-13(11)3-7-15-12/h1-2,4-6,8,12,15H,3,7,9H2
InChIKeyNGJSQAMHFYLJCY-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.57
Rot. Bonds2

About 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 102551191) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID102551191
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1cc(CC2NCCc3sccc32)ccn1
InChIInChI=1S/C13H14N2S/c1-5-14-6-2-10(1)9-12-11-4-8-16-13(11)3-7-15-12/h1-2,4-6,8,12,15H,3,7,9H2
InChIKeyNGJSQAMHFYLJCY-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 102551191) is 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is c1cc(CC2NCCc3sccc32)ccn1.
What is the InChIKey of 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is NGJSQAMHFYLJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-5-14-6-2-10(1)9-12-11-4-8-16-13(11)3-7-15-12/h1-2,4-6,8,12,15H,3,7,9H2.
What are the key properties of 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 230.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 102551191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).