(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C13H11NOS — CID 42559090

IUPAC(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccccc2)c2sccc2N1
InChIInChI=1S/C13H11NOS/c15-12-8-10(9-4-2-1-3-5-9)13-11(14-12)6-7-16-13/h1-7,10H,8H2,(H,14,15)/t10-/m0/s1
InChIKeyYAEKGVLVGODGHI-JTQLQIEISA-N
MW229.30 g/mol
LogP3.22
Rot. Bonds1

About (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42559090) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42559090
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccccc2)c2sccc2N1
InChIInChI=1S/C13H11NOS/c15-12-8-10(9-4-2-1-3-5-9)13-11(14-12)6-7-16-13/h1-7,10H,8H2,(H,14,15)/t10-/m0/s1
InChIKeyYAEKGVLVGODGHI-JTQLQIEISA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559305
(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42553733
7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763371
7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763630
(7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590902
7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763604
(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590882
(7R)-7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590848
7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16764398
7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50945296
(7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590850
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654

Frequently Asked Questions

What is the IUPAC name of (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42559090) is (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@@H](c2ccccc2)c2sccc2N1.
What is the InChIKey of (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is YAEKGVLVGODGHI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H11NOS/c15-12-8-10(9-4-2-1-3-5-9)13-11(14-12)6-7-16-13/h1-7,10H,8H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 229.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42559090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).