N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine

C15H22N2S — CID 70606377

IUPACN-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCCc1cccc(CC)c1/N=C1\SCC(C)N1C
InChIInChI=1S/C15H22N2S/c1-5-12-8-7-9-13(6-2)14(12)16-15-17(4)11(3)10-18-15/h7-9,11H,5-6,10H2,1-4H3/b16-15-
InChIKeyLEOKEBKETUXOHX-NXVVXOECSA-N
MW262.42 g/mol
LogP3.87
Rot. Bonds3

About N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine

N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 70606377) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID70606377
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCCc1cccc(CC)c1/N=C1\SCC(C)N1C
InChIInChI=1S/C15H22N2S/c1-5-12-8-7-9-13(6-2)14(12)16-15-17(4)11(3)10-18-15/h7-9,11H,5-6,10H2,1-4H3/b16-15-
InChIKeyLEOKEBKETUXOHX-NXVVXOECSA-N
XLogP3.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine (CID 70606377) is N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine is CCc1cccc(CC)c1/N=C1\SCC(C)N1C.
What is the InChIKey of N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is LEOKEBKETUXOHX-NXVVXOECSA-N. The full InChI is InChI=1S/C15H22N2S/c1-5-12-8-7-9-13(6-2)14(12)16-15-17(4)11(3)10-18-15/h7-9,11H,5-6,10H2,1-4H3/b16-15-.
What are the key properties of N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine?
N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 262.42 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 70606377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).