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

C13H13NS — CID 6485298

IUPAC4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C13H13NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-5,7,9,13-14H,6,8H2
InChIKeyBKXOJOFWZSFANH-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.98
Rot. Bonds1

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

4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 6485298) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID6485298
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C13H13NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-5,7,9,13-14H,6,8H2
InChIKeyBKXOJOFWZSFANH-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 6485298) is 4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is c1ccc(C2NCCc3sccc32)cc1.
What is the InChIKey of 4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is BKXOJOFWZSFANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-5,7,9,13-14H,6,8H2.
What are the key properties of 4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 215.32 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 6485298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).