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

C7H5ClN2O3S — CID 105356998

IUPAC7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C1CS(=O)(=O)c2ncc(Cl)cc2N1
InChIInChI=1S/C7H5ClN2O3S/c8-4-1-5-7(9-2-4)14(12,13)3-6(11)10-5/h1-2H,3H2,(H,10,11)
InChIKeyACXMKNYTHMDMAB-UHFFFAOYSA-N
MW232.65 g/mol
LogP0.46
Rot. Bonds

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

7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 105356998) has the molecular formula C7H5ClN2O3S and a molecular weight of 232.65 g/mol. Its IUPAC name is 7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID105356998
Molecular FormulaC7H5ClN2O3S
Molecular Weight232.65 g/mol
Exact Mass231.97
IUPAC Name7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C1CS(=O)(=O)c2ncc(Cl)cc2N1
InChIInChI=1S/C7H5ClN2O3S/c8-4-1-5-7(9-2-4)14(12,13)3-6(11)10-5/h1-2H,3H2,(H,10,11)
InChIKeyACXMKNYTHMDMAB-UHFFFAOYSA-N
XLogP0.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide
CID 105357322
7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 105356964
5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide
CID 56958300
1,1,3-trioxo-4H-1λ6,4-benzothiazine-7-carboxylic acid
CID 83824898
7-bromo-6-fluoro-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 105356994
8-chloro-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
CID 105357096
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
7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 114827395
6-(methylamino)-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 59150138
6-chloro-4-fluoro-1,3-dihydroindol-2-one
CID 66634278
6-methylsulfinyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 21209713

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one (CID 105356998) is 7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one is O=C1CS(=O)(=O)c2ncc(Cl)cc2N1.
What is the InChIKey of 7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is ACXMKNYTHMDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3S/c8-4-1-5-7(9-2-4)14(12,13)3-6(11)10-5/h1-2H,3H2,(H,10,11).
What are the key properties of 7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one?
7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 232.65 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 105356998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).