2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide

C13H16N2O2S — CID 75767660

IUPAC2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide
SMILESCCCNC(=O)C1(C)Sc2ccccc2NC1=O
InChIInChI=1S/C13H16N2O2S/c1-3-8-14-11(16)13(2)12(17)15-9-6-4-5-7-10(9)18-13/h4-7H,3,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyDSIIWFIUTGDCEI-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide

2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75767660) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75767660
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide
SMILESCCCNC(=O)C1(C)Sc2ccccc2NC1=O
InChIInChI=1S/C13H16N2O2S/c1-3-8-14-11(16)13(2)12(17)15-9-6-4-5-7-10(9)18-13/h4-7H,3,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyDSIIWFIUTGDCEI-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]butanoic acid
CID 75796903
2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686325
N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767750
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767747
2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide
CID 75770004
N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 110273886
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767676
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 56686326
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769184
N-(2-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769200
2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 75797091
N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75797088

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide (CID 75767660) is 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide is CCCNC(=O)C1(C)Sc2ccccc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is DSIIWFIUTGDCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-8-14-11(16)13(2)12(17)15-9-6-4-5-7-10(9)18-13/h4-7H,3,8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide?
2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).