4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine

C13H13NS — CID 154187145

IUPAC4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine
SMILESc1ccc(N2CCCc3sccc32)cc1
InChIInChI=1S/C13H13NS/c1-2-5-11(6-3-1)14-9-4-7-13-12(14)8-10-15-13/h1-3,5-6,8,10H,4,7,9H2
InChIKeyMMKYKLJDMUGVBR-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.83
Rot. Bonds1

About 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine

4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine (PubChem CID 154187145) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine.

Molecular Properties

Compound Name4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine
PubChem CID154187145
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine
SMILESc1ccc(N2CCCc3sccc32)cc1
InChIInChI=1S/C13H13NS/c1-2-5-11(6-3-1)14-9-4-7-13-12(14)8-10-15-13/h1-3,5-6,8,10H,4,7,9H2
InChIKeyMMKYKLJDMUGVBR-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine?
The IUPAC name of 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine (CID 154187145) is 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine.
What is the SMILES notation for 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine?
The canonical SMILES for 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine is c1ccc(N2CCCc3sccc32)cc1.
What is the InChIKey of 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine?
The InChIKey is MMKYKLJDMUGVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-2-5-11(6-3-1)14-9-4-7-13-12(14)8-10-15-13/h1-3,5-6,8,10H,4,7,9H2.
What are the key properties of 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine?
4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine has a molecular weight of 215.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6,7-dihydro-5H-thieno[3,2-b]pyridine is sourced from PubChem (CID 154187145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).