2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one

C12H7N3OS — CID 59750355

IUPAC2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one
SMILESO=c1nc(-c2ccccn2)sc2ncccc12
InChIInChI=1S/C12H7N3OS/c16-10-8-4-3-7-14-11(8)17-12(15-10)9-5-1-2-6-13-9/h1-7H
InChIKeyDJOCPKTTWLPZES-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.11
Rot. Bonds1

About 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one

2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 59750355) has the molecular formula C12H7N3OS and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one
PubChem CID59750355
Molecular FormulaC12H7N3OS
Molecular Weight241.28 g/mol
Exact Mass241.03
IUPAC Name2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one
SMILESO=c1nc(-c2ccccn2)sc2ncccc12
InChIInChI=1S/C12H7N3OS/c16-10-8-4-3-7-14-11(8)17-12(15-10)9-5-1-2-6-13-9/h1-7H
InChIKeyDJOCPKTTWLPZES-UHFFFAOYSA-N
XLogP2.11
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-2-yl-4H-1,3-benzothiazin-4-one
CID 9837640
2-[ethyl(phenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 941901
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(phenylthio)pyridin-3-yl)methanone
CID 24771071
Phenothiazin-10-yl(pyridin-3-yl)methanone
CID 718425
2-[4-methyl(propyl)anilino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 2800769
2-(Benzylsulfanyl)nicotinaldehyde
CID 4531915
N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide
CID 15016062
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191
N-cyclohexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 8083388
1-{2-[5-Cyano-2-methyl-6-(methylthio)pyridin-3-yl]-2-oxoethyl}-2-methylpyridinium bromide
CID 15496775
6-Methyl-5-[2-(4-methylpyridin-1-ium-1-yl)acetyl]-2-methylsulfanylpyridine-3-carbonitrile bromide
CID 15496776

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one (CID 59750355) is 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one is O=c1nc(-c2ccccn2)sc2ncccc12.
What is the InChIKey of 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is DJOCPKTTWLPZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3OS/c16-10-8-4-3-7-14-11(8)17-12(15-10)9-5-1-2-6-13-9/h1-7H.
What are the key properties of 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one?
2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 241.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 59750355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).