3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide

C15H18FN3O2S — CID 3139561

IUPAC3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2ccc(F)cc2)CC(=O)N1CC
InChIInChI=1S/C15H18FN3O2S/c1-3-17-15-19(4-2)13(20)9-12(22-15)14(21)18-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)/b17-15-
InChIKeyLUOBTWRPMYCHBS-ICFOKQHNSA-N
MW323.39 g/mol
LogP2.49
Rot. Bonds4

About 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide

3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3139561) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3139561
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2ccc(F)cc2)CC(=O)N1CC
InChIInChI=1S/C15H18FN3O2S/c1-3-17-15-19(4-2)13(20)9-12(22-15)14(21)18-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)/b17-15-
InChIKeyLUOBTWRPMYCHBS-ICFOKQHNSA-N
XLogP2.49
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139557
2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)-N-phenylacetamide
CID 661432
2-(diethylamino)-2-oxoethyl N'-cyano-N-(2-fluorophenyl)carbamimidothioate
CID 660825
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(2-fluoro-phenyl)-acetamide
CID 646627
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 647039
1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate
CID 2840626
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2998505
3-Ethyl-2-ethylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid m-tolylamide
CID 3139558
1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (4,5-dihydro-thiazol-2-yl)-amide
CID 3155569
2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 3236056
2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide
CID 3239552

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 3139561) is 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(=O)Nc2ccc(F)cc2)CC(=O)N1CC.
What is the InChIKey of 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is LUOBTWRPMYCHBS-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-3-17-15-19(4-2)13(20)9-12(22-15)14(21)18-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)/b17-15-.
What are the key properties of 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).