10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol

C17H13NOS2 — CID 171976609

IUPAC10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol
SMILESOC1(c2ccccn2)c2ccccc2CSc2sccc21
InChIInChI=1S/C17H13NOS2/c19-17(15-7-3-4-9-18-15)13-6-2-1-5-12(13)11-21-16-14(17)8-10-20-16/h1-10,19H,11H2
InChIKeyWOFIEAAPFNJROM-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.03
Rot. Bonds1

About 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol

10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol (PubChem CID 171976609) has the molecular formula C17H13NOS2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol.

Molecular Properties

Compound Name10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol
PubChem CID171976609
Molecular FormulaC17H13NOS2
Molecular Weight311.43 g/mol
Exact Mass311.04
IUPAC Name10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol
SMILESOC1(c2ccccn2)c2ccccc2CSc2sccc21
InChIInChI=1S/C17H13NOS2/c19-17(15-7-3-4-9-18-15)13-6-2-1-5-12(13)11-21-16-14(17)8-10-20-16/h1-10,19H,11H2
InChIKeyWOFIEAAPFNJROM-UHFFFAOYSA-N
XLogP4.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4H-thieno[2,3-b]thiopyran-5-one
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3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one
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1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
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CID 21029924

Frequently Asked Questions

What is the IUPAC name of 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol?
The IUPAC name of 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol (CID 171976609) is 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol.
What is the SMILES notation for 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol?
The canonical SMILES for 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol is OC1(c2ccccn2)c2ccccc2CSc2sccc21.
What is the InChIKey of 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol?
The InChIKey is WOFIEAAPFNJROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS2/c19-17(15-7-3-4-9-18-15)13-6-2-1-5-12(13)11-21-16-14(17)8-10-20-16/h1-10,19H,11H2.
What are the key properties of 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol?
10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol has a molecular weight of 311.43 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyridin-2-yl-5H-thieno[2,3-c][2]benzothiepin-10-ol is sourced from PubChem (CID 171976609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).