7-pyridin-3-yl-4H-1,4-benzothiazin-3-one

C13H10N2OS — CID 25180103

IUPAC7-pyridin-3-yl-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(-c3cccnc3)ccc2N1
InChIInChI=1S/C13H10N2OS/c16-13-8-17-12-6-9(3-4-11(12)15-13)10-2-1-5-14-7-10/h1-7H,8H2,(H,15,16)
InChIKeyQVFBOIKMDDLOQP-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.79
Rot. Bonds1

About 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one

7-pyridin-3-yl-4H-1,4-benzothiazin-3-one (PubChem CID 25180103) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-pyridin-3-yl-4H-1,4-benzothiazin-3-one
PubChem CID25180103
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name7-pyridin-3-yl-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(-c3cccnc3)ccc2N1
InChIInChI=1S/C13H10N2OS/c16-13-8-17-12-6-9(3-4-11(12)15-13)10-2-1-5-14-7-10/h1-7H,8H2,(H,15,16)
InChIKeyQVFBOIKMDDLOQP-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one (CID 25180103) is 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one is O=C1CSc2cc(-c3cccnc3)ccc2N1.
What is the InChIKey of 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one?
The InChIKey is QVFBOIKMDDLOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-13-8-17-12-6-9(3-4-11(12)15-13)10-2-1-5-14-7-10/h1-7H,8H2,(H,15,16).
What are the key properties of 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one?
7-pyridin-3-yl-4H-1,4-benzothiazin-3-one has a molecular weight of 242.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 25180103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).