3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide

C19H16F3N3O2S — CID 3699180

IUPAC3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccccc2)S/C1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2S/c1-25-16(26)11-15(17(27)23-13-7-3-2-4-8-13)28-18(25)24-14-9-5-6-12(10-14)19(20,21)22/h2-10,15H,11H2,1H3,(H,23,27)/b24-18-
InChIKeyQQQLGMVYQOHSFE-MOHJPFBDSA-N
MW407.42 g/mol
LogP4.30
Rot. Bonds3

About 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide

3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide (PubChem CID 3699180) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
PubChem CID3699180
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccccc2)S/C1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2S/c1-25-16(26)11-15(17(27)23-13-7-3-2-4-8-13)28-18(25)24-14-9-5-6-12(10-14)19(20,21)22/h2-10,15H,11H2,1H3,(H,23,27)/b24-18-
InChIKeyQQQLGMVYQOHSFE-MOHJPFBDSA-N
XLogP4.30
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-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

1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl N'-phenylimidothiocarbamate
CID 2833590
2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 666903
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135411087
2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
CID 2833596
2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 2936271
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2939431
3-Ethyl-2-ethylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid m-tolylamide
CID 3139558
(2Z)-N-ethyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 3415787
2-[4-oxo-2-(1-piperidinyl)-5-thiazolyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3886672

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide (CID 3699180) is 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide is CN1C(=O)CC(C(=O)Nc2ccccc2)S/C1=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide?
The InChIKey is QQQLGMVYQOHSFE-MOHJPFBDSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c1-25-16(26)11-15(17(27)23-13-7-3-2-4-8-13)28-18(25)24-14-9-5-6-12(10-14)19(20,21)22/h2-10,15H,11H2,1H3,(H,23,27)/b24-18-.
What are the key properties of 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide?
3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3699180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).