9H-pyrido[2,1-b][1,3]benzothiazin-11-one

C12H9NOS — CID 67401116

IUPAC9H-pyrido[2,1-b][1,3]benzothiazin-11-one
SMILESO=C1c2ccccc2SC2=CC=CCN12
InChIInChI=1S/C12H9NOS/c14-12-9-5-1-2-6-10(9)15-11-7-3-4-8-13(11)12/h1-7H,8H2
InChIKeyCAEWPJRNCDLNGW-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.65
Rot. Bonds

About 9H-pyrido[2,1-b][1,3]benzothiazin-11-one

9H-pyrido[2,1-b][1,3]benzothiazin-11-one (PubChem CID 67401116) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 9H-pyrido[2,1-b][1,3]benzothiazin-11-one.

Molecular Properties

Compound Name9H-pyrido[2,1-b][1,3]benzothiazin-11-one
PubChem CID67401116
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name9H-pyrido[2,1-b][1,3]benzothiazin-11-one
SMILESO=C1c2ccccc2SC2=CC=CCN12
InChIInChI=1S/C12H9NOS/c14-12-9-5-1-2-6-10(9)15-11-7-3-4-8-13(11)12/h1-7H,8H2
InChIKeyCAEWPJRNCDLNGW-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[2,1-b][1,3]benzothiazin-11-one?
The IUPAC name of 9H-pyrido[2,1-b][1,3]benzothiazin-11-one (CID 67401116) is 9H-pyrido[2,1-b][1,3]benzothiazin-11-one.
What is the SMILES notation for 9H-pyrido[2,1-b][1,3]benzothiazin-11-one?
The canonical SMILES for 9H-pyrido[2,1-b][1,3]benzothiazin-11-one is O=C1c2ccccc2SC2=CC=CCN12.
What is the InChIKey of 9H-pyrido[2,1-b][1,3]benzothiazin-11-one?
The InChIKey is CAEWPJRNCDLNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-12-9-5-1-2-6-10(9)15-11-7-3-4-8-13(11)12/h1-7H,8H2.
What are the key properties of 9H-pyrido[2,1-b][1,3]benzothiazin-11-one?
9H-pyrido[2,1-b][1,3]benzothiazin-11-one has a molecular weight of 215.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrido[2,1-b][1,3]benzothiazin-11-one is sourced from PubChem (CID 67401116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).