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

C8H7ClN2OS — CID 114827395

IUPAC7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESCC1Sc2ncc(Cl)cc2NC1=O
InChIInChI=1S/C8H7ClN2OS/c1-4-7(12)11-6-2-5(9)3-10-8(6)13-4/h2-4H,1H3,(H,11,12)
InChIKeyXCMOFEZQKGXSNH-UHFFFAOYSA-N
MW214.68 g/mol
LogP2.17
Rot. Bonds

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

7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 114827395) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID114827395
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESCC1Sc2ncc(Cl)cc2NC1=O
InChIInChI=1S/C8H7ClN2OS/c1-4-7(12)11-6-2-5(9)3-10-8(6)13-4/h2-4H,1H3,(H,11,12)
InChIKeyXCMOFEZQKGXSNH-UHFFFAOYSA-N
XLogP2.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 114827396
3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
CID 126477073
6-chloro-N-methyl-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 138725930
7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
CID 105356234
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 51442382
2,6,7-trimethyl-4H-1,4-benzothiazin-3-one
CID 84620961
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666
N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51159289
8-bromo-4-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one
CID 105356180
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51153697
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 112794484
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51148430

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one (CID 114827395) is 7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one is CC1Sc2ncc(Cl)cc2NC1=O.
What is the InChIKey of 7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is XCMOFEZQKGXSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-4-7(12)11-6-2-5(9)3-10-8(6)13-4/h2-4H,1H3,(H,11,12).
What are the key properties of 7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 214.68 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 114827395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).