5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one

C16H13NOS2 — CID 116626857

IUPAC5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CC1Cc2ccccc2S1
InChIInChI=1S/C16H13NOS2/c18-16-13-6-8-19-15(13)5-7-17(16)10-12-9-11-3-1-2-4-14(11)20-12/h1-8,12H,9-10H2
InChIKeyZXTZKRODHGQENI-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.78
Rot. Bonds2

About 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one

5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one (PubChem CID 116626857) has the molecular formula C16H13NOS2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one
PubChem CID116626857
Molecular FormulaC16H13NOS2
Molecular Weight299.42 g/mol
Exact Mass299.04
IUPAC Name5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CC1Cc2ccccc2S1
InChIInChI=1S/C16H13NOS2/c18-16-13-6-8-19-15(13)5-7-17(16)10-12-9-11-3-1-2-4-14(11)20-12/h1-8,12H,9-10H2
InChIKeyZXTZKRODHGQENI-UHFFFAOYSA-N
XLogP3.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one (CID 116626857) is 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1CC1Cc2ccccc2S1.
What is the InChIKey of 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is ZXTZKRODHGQENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS2/c18-16-13-6-8-19-15(13)5-7-17(16)10-12-9-11-3-1-2-4-14(11)20-12/h1-8,12H,9-10H2.
What are the key properties of 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 299.42 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 116626857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).