2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide

C17H13F3N2O2S — CID 146579222

IUPAC2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2NC1=O
InChIInChI=1S/C17H13F3N2O2S/c1-8-16(23)22-14-4-9(2-3-15(14)25-8)17(24)21-7-11-12(19)5-10(18)6-13(11)20/h2-6,8H,7H2,1H3,(H,21,24)(H,22,23)
InChIKeyGIWCFTYRVNKCHP-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide

2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 146579222) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide
PubChem CID146579222
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2NC1=O
InChIInChI=1S/C17H13F3N2O2S/c1-8-16(23)22-14-4-9(2-3-15(14)25-8)17(24)21-7-11-12(19)5-10(18)6-13(11)20/h2-6,8H,7H2,1H3,(H,21,24)(H,22,23)
InChIKeyGIWCFTYRVNKCHP-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyanomethyl)-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 146579035
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 75417289
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 110764915
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
2-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 42601229
(2S)-2-methyl-3-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26446999
N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51159289
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 120946907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide (CID 146579222) is 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide is CC1Sc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is GIWCFTYRVNKCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-8-16(23)22-14-4-9(2-3-15(14)25-8)17(24)21-7-11-12(19)5-10(18)6-13(11)20/h2-6,8H,7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide?
2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 3.47, 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-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 146579222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).