2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one

C13H10N2OS — CID 155558842

IUPAC2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one
SMILESO=C1NC(c2ccccn2)Sc2ccccc21
InChIInChI=1S/C13H10N2OS/c16-12-9-5-1-2-7-11(9)17-13(15-12)10-6-3-4-8-14-10/h1-8,13H,(H,15,16)
InChIKeyVNQMNFPFGNMBPO-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.62
Rot. Bonds1

About 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one

2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one (PubChem CID 155558842) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one
PubChem CID155558842
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one
SMILESO=C1NC(c2ccccn2)Sc2ccccc21
InChIInChI=1S/C13H10N2OS/c16-12-9-5-1-2-7-11(9)17-13(15-12)10-6-3-4-8-14-10/h1-8,13H,(H,15,16)
InChIKeyVNQMNFPFGNMBPO-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one?
The IUPAC name of 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one (CID 155558842) is 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one?
The canonical SMILES for 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one is O=C1NC(c2ccccn2)Sc2ccccc21.
What is the InChIKey of 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one?
The InChIKey is VNQMNFPFGNMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-12-9-5-1-2-7-11(9)17-13(15-12)10-6-3-4-8-14-10/h1-8,13H,(H,15,16).
What are the key properties of 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one?
2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one has a molecular weight of 242.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2,3-dihydro-1,3-benzothiazin-4-one is sourced from PubChem (CID 155558842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).