N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

C15H17Cl2N3O2S — CID 3139566

IUPACN-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1CC
InChIInChI=1S/C15H17Cl2N3O2S/c1-3-18-15-20(4-2)13(21)8-12(23-15)14(22)19-11-6-9(16)5-10(17)7-11/h5-7,12H,3-4,8H2,1-2H3,(H,19,22)/b18-15-
InChIKeyOFCBPLWNYGMSQV-SDXDJHTJSA-N
MW374.29 g/mol
LogP3.66
Rot. Bonds4

About N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3139566) has the molecular formula C15H17Cl2N3O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3139566
Molecular FormulaC15H17Cl2N3O2S
Molecular Weight374.29 g/mol
Exact Mass373.04
IUPAC NameN-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1CC
InChIInChI=1S/C15H17Cl2N3O2S/c1-3-18-15-20(4-2)13(21)8-12(23-15)14(22)19-11-6-9(16)5-10(17)7-11/h5-7,12H,3-4,8H2,1-2H3,(H,19,22)/b18-15-
InChIKeyOFCBPLWNYGMSQV-SDXDJHTJSA-N
XLogP3.66
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.66
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
N-(4-chlorophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2937826
(2Z)-N-(3,4-dichlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 661493
2-[1-(3-Chloro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea
CID 2833597
N-(3-chlorophenyl)-3-methyl-2-(methylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxamide hydrobromide
CID 2936824
N-(3,5-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 2978829
2-{2-[(4-chlorophenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl}-N-ethylacetamide
CID 3972953
N-(4-chlorophenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 16303723
N-(2-chlorophenyl)-2-[2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamide
CID 16304239
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
CID 135401487
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 135401621
1-(3,5-Dichlorophenyl)-3-[(4,6-dihydroxy-5-methyl-2-pyrimidinyl)thio]-2,5-pyrrolidinedione
CID 3980395

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 3139566) is N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1CC.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is OFCBPLWNYGMSQV-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2S/c1-3-18-15-20(4-2)13(21)8-12(23-15)14(22)19-11-6-9(16)5-10(17)7-11/h5-7,12H,3-4,8H2,1-2H3,(H,19,22)/b18-15-.
What are the key properties of N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 374.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).