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

C15H17Cl2N3O2S — CID 661493

IUPACN-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1CC
InChIInChI=1S/C15H17Cl2N3O2S/c1-3-18-15-20(4-2)13(21)8-12(23-15)14(22)19-9-5-6-10(16)11(17)7-9/h5-7,12H,3-4,8H2,1-2H3,(H,19,22)/b18-15-
InChIKeyYVNCHMOXNVRRMX-SDXDJHTJSA-N
MW374.29 g/mol
LogP3.66
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 661493) has the molecular formula C15H17Cl2N3O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID661493
Molecular FormulaC15H17Cl2N3O2S
Molecular Weight374.29 g/mol
Exact Mass373.04
IUPAC NameN-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1CC
InChIInChI=1S/C15H17Cl2N3O2S/c1-3-18-15-20(4-2)13(21)8-12(23-15)14(22)19-9-5-6-10(16)11(17)7-9/h5-7,12H,3-4,8H2,1-2H3,(H,19,22)/b18-15-
InChIKeyYVNCHMOXNVRRMX-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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 661493) is N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1CC.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is YVNCHMOXNVRRMX-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2S/c1-3-18-15-20(4-2)13(21)8-12(23-15)14(22)19-9-5-6-10(16)11(17)7-9/h5-7,12H,3-4,8H2,1-2H3,(H,19,22)/b18-15-.
What are the key properties of N-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
N-(3,4-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-(3,4-dichlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 661493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).