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

C17H23N3O2S — CID 661614

IUPAC3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)NCCc2ccccc2)CC(=O)N1CC
InChIInChI=1S/C17H23N3O2S/c1-3-18-17-20(4-2)15(21)12-14(23-17)16(22)19-11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,19,22)/b18-17-
InChIKeyRKLCRMMECYBUFL-ZCXUNETKSA-N
MW333.46 g/mol
LogP2.08
Rot. Bonds6

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

3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide (PubChem CID 661614) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
PubChem CID661614
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)NCCc2ccccc2)CC(=O)N1CC
InChIInChI=1S/C17H23N3O2S/c1-3-18-17-20(4-2)15(21)12-14(23-17)16(22)19-11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,19,22)/b18-17-
InChIKeyRKLCRMMECYBUFL-ZCXUNETKSA-N
XLogP2.08
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.08
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

N-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 2859342
2,5-dioxo-1-(2-phenylethyl)-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 4370839
(2Z)-N-ethyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 3415787
2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
CID 4414779
(2Z)-N-methyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 4616984
2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide
CID 135439868
2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(2-phenylethyl)acetamide
CID 135441620
S-[3-oxo-3-[[4-oxo-4-(2-phenylethylamino)butyl]amino]propyl] ethanethioate
CID 90024758
S-ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamothioate
CID 144562574
2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
CID 4369940
2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
CID 4647858
2-[(6-amino-4-oxo-5-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-(propan-2-yl)acetamide
CID 135414680

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide?
The IUPAC name of 3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide (CID 661614) is 3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(=O)NCCc2ccccc2)CC(=O)N1CC.
What is the InChIKey of 3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide?
The InChIKey is RKLCRMMECYBUFL-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-18-17-20(4-2)15(21)12-14(23-17)16(22)19-11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,19,22)/b18-17-.
What are the key properties of 3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide?
3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylimino-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 661614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).