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

C11H9NOS2 — CID 42553733

IUPAC(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccsc2)c2sccc2N1
InChIInChI=1S/C11H9NOS2/c13-10-5-8(7-1-3-14-6-7)11-9(12-10)2-4-15-11/h1-4,6,8H,5H2,(H,12,13)/t8-/m0/s1
InChIKeyZDOXSXRZKHLDPU-QMMMGPOBSA-N
MW235.33 g/mol
LogP3.28
Rot. Bonds1

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

(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42553733) has the molecular formula C11H9NOS2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42553733
Molecular FormulaC11H9NOS2
Molecular Weight235.33 g/mol
Exact Mass235.01
IUPAC Name(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccsc2)c2sccc2N1
InChIInChI=1S/C11H9NOS2/c13-10-5-8(7-1-3-14-6-7)11-9(12-10)2-4-15-11/h1-4,6,8H,5H2,(H,12,13)/t8-/m0/s1
InChIKeyZDOXSXRZKHLDPU-QMMMGPOBSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42553733) is (7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@@H](c2ccsc2)c2sccc2N1.
What is the InChIKey of (7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ZDOXSXRZKHLDPU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H9NOS2/c13-10-5-8(7-1-3-14-6-7)11-9(12-10)2-4-15-11/h1-4,6,8H,5H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 235.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42553733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).