4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide

C12H12N2O3S — CID 11161371

IUPAC4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCC(=O)N1C(=O)C(C)Sc2ccc(C(N)=O)cc21
InChIInChI=1S/C12H12N2O3S/c1-6-12(17)14(7(2)15)9-5-8(11(13)16)3-4-10(9)18-6/h3-6H,1-2H3,(H2,13,16)
InChIKeyFRLIENHAYUPBMH-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.16
Rot. Bonds1

About 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide

4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 11161371) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID11161371
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCC(=O)N1C(=O)C(C)Sc2ccc(C(N)=O)cc21
InChIInChI=1S/C12H12N2O3S/c1-6-12(17)14(7(2)15)9-5-8(11(13)16)3-4-10(9)18-6/h3-6H,1-2H3,(H2,13,16)
InChIKeyFRLIENHAYUPBMH-UHFFFAOYSA-N
XLogP1.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetylphenothiazine
CID 81131
1-(10-Methyl-10H-phenothiazin-2-yl)ethan-1-one
CID 91401
N-[2-(methylsulfanyl)phenyl]benzamide
CID 307228
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2460170
N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082266
N-(4-chlorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082268
10H-Phenothiazine-2-carboxaldehyde
CID 12275364
4-benzyl-6-[(4-methylpiperazin-1-yl)carbonyl]-3,4-dihydro-2H-1,4-benzothiazine
CID 20876259
(2r)-2-Methyl-3-Oxo-4h-1,4-Benzothiazine-6-Carbohydroxamic Acid
CID 25374595
6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
CID 677722
N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 977219
Ethyl 4-[(4-methyl-2,3-dihydro-1,4-benzothiazine-6-carbonyl)amino]piperidine-1-carboxylate
CID 3236020

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide (CID 11161371) is 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide is CC(=O)N1C(=O)C(C)Sc2ccc(C(N)=O)cc21.
What is the InChIKey of 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is FRLIENHAYUPBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-6-12(17)14(7(2)15)9-5-8(11(13)16)3-4-10(9)18-6/h3-6H,1-2H3,(H2,13,16).
What are the key properties of 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide?
4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-methyl-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 11161371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).