7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one

C7H5ClN2O2S — CID 105356964

IUPAC7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C1CS(=O)c2ncc(Cl)cc2N1
InChIInChI=1S/C7H5ClN2O2S/c8-4-1-5-7(9-2-4)13(12)3-6(11)10-5/h1-2H,3H2,(H,10,11)
InChIKeySXADGQJXRFJMLR-UHFFFAOYSA-N
MW216.65 g/mol
LogP0.79
Rot. Bonds

About 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one

7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 105356964) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID105356964
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C1CS(=O)c2ncc(Cl)cc2N1
InChIInChI=1S/C7H5ClN2O2S/c8-4-1-5-7(9-2-4)13(12)3-6(11)10-5/h1-2H,3H2,(H,10,11)
InChIKeySXADGQJXRFJMLR-UHFFFAOYSA-N
XLogP0.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 105356998
4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
CID 114837207
4-(5-chloro-3-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 79727997
9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one
CID 130520575
7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 114827395
6-chloro-4-fluoro-1,3-dihydroindol-2-one
CID 66634278
(3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one
CID 167657849
6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 82338154
7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 55265376
7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide
CID 105357322
6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
CID 86611692
3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 76848612

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one (CID 105356964) is 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one is O=C1CS(=O)c2ncc(Cl)cc2N1.
What is the InChIKey of 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is SXADGQJXRFJMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-4-1-5-7(9-2-4)13(12)3-6(11)10-5/h1-2H,3H2,(H,10,11).
What are the key properties of 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one?
7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 216.65 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 105356964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).