N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide

C15H13F2N3O3S — CID 175350138

IUPACN-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide
SMILESCC1=Nc2c(cn(C)c2C(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)C1
InChIInChI=1S/C15H13F2N3O3S/c1-8-7-24(22,23)12-6-20(2)14(13(12)18-8)15(21)19-9-3-4-10(16)11(17)5-9/h3-6H,7H2,1-2H3,(H,19,21)
InChIKeyUEXYADFXLVHXDL-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.44
Rot. Bonds2

About N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide

N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide (PubChem CID 175350138) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide
PubChem CID175350138
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC NameN-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide
SMILESCC1=Nc2c(cn(C)c2C(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)C1
InChIInChI=1S/C15H13F2N3O3S/c1-8-7-24(22,23)12-6-20(2)14(13(12)18-8)15(21)19-9-3-4-10(16)11(17)5-9/h3-6H,7H2,1-2H3,(H,19,21)
InChIKeyUEXYADFXLVHXDL-UHFFFAOYSA-N
XLogP2.44
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-6-methyl-3,3-dioxo-9-oxa-3λ6-thia-2,6-diazatricyclo[9.3.0.04,8]tetradeca-4,7-diene-7-carboxamide
CID 146336937
(3S)-N-(3,4-difluorophenyl)-3-(2-hydroxypropan-2-yl)-7-methyl-1,1-dioxo-2,3,4,5-tetrahydropyrrolo[3,4-f]thiazepine-6-carboxamide;sulfane
CID 159999207
(3S)-N-(3,4-difluorophenyl)-7-methyl-1,1-dioxo-3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-pyrrolo[3,4-b][1,4,5]oxathiazepine-6-carboxamide;sulfane
CID 157382373
(3S)-N-(3,4-difluorophenyl)-1-imino-3,7-dimethyl-1-oxo-2,3,4,5-tetrahydropyrrolo[3,4-f]thiazepine-6-carboxamide;methane;sulfane
CID 157465427
N-(3,4-difluorophenyl)-3-[(1S)-1-hydroxyethyl]-7-methyl-1,1-dioxo-2,3-dihydropyrrolo[3,4-f]thiazepine-6-carboxamide
CID 140762687
3-[(2S)-butan-2-yl]-N-(3,4-difluorophenyl)-7-methyl-1,1-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b][1,4,5]oxathiazepine-6-carboxamide
CID 140762743
(3R)-N-(3,4-difluorophenyl)-3-[(1S)-1-hydroxyethyl]-1-imino-7-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[3,4-f]thiazepine-6-carboxamide
CID 146608823
(3R)-N-(3,4-difluorophenyl)-3-ethyl-1-imino-7-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[3,4-f]thiazepine-6-carboxamide
CID 166838934
(3R)-3-(cyclopropylmethyl)-N-(3,4-difluorophenyl)-1-imino-7-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[3,4-f]thiazepine-6-carboxamide
CID 154991292
3-cyclohexyl-N-(3,4-difluorophenyl)-1-imino-7-methyl-1-oxo-2,3-dihydropyrrolo[3,4-f]thiazepine-6-carboxamide
CID 155426095
(3S)-3-[(2S)-butan-2-yl]-N-(3,4-difluorophenyl)-1-imino-7-methyl-1-oxo-2,3-dihydropyrrolo[3,4-f]thiazepine-6-carboxamide
CID 146608800
(3S)-3-benzyl-N-(3,4-difluorophenyl)-1-imino-7-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[3,4-f]thiazepine-6-carboxamide
CID 146607711

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide (CID 175350138) is N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide is CC1=Nc2c(cn(C)c2C(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide?
The InChIKey is UEXYADFXLVHXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c1-8-7-24(22,23)12-6-20(2)14(13(12)18-8)15(21)19-9-3-4-10(16)11(17)5-9/h3-6H,7H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide?
N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-pyrrolo[3,4-b][1,4]thiazine-5-carboxamide is sourced from PubChem (CID 175350138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).