3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine

C17H18N2S — CID 4139876

IUPAC3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine
SMILESCC1C(c2ccccc2)S/C(=N\c2ccccc2)N1C
InChIInChI=1S/C17H18N2S/c1-13-16(14-9-5-3-6-10-14)20-17(19(13)2)18-15-11-7-4-8-12-15/h3-13,16H,1-2H3/b18-17-
InChIKeyXHLSIAMZURVNCN-ZCXUNETKSA-N
MW282.41 g/mol
LogP4.48
Rot. Bonds2

About 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine

3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine (PubChem CID 4139876) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine
PubChem CID4139876
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine
SMILESCC1C(c2ccccc2)S/C(=N\c2ccccc2)N1C
InChIInChI=1S/C17H18N2S/c1-13-16(14-9-5-3-6-10-14)20-17(19(13)2)18-15-11-7-4-8-12-15/h3-13,16H,1-2H3/b18-17-
InChIKeyXHLSIAMZURVNCN-ZCXUNETKSA-N
XLogP4.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.48
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 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine (CID 4139876) is 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine is CC1C(c2ccccc2)S/C(=N\c2ccccc2)N1C.
What is the InChIKey of 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine?
The InChIKey is XHLSIAMZURVNCN-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H18N2S/c1-13-16(14-9-5-3-6-10-14)20-17(19(13)2)18-15-11-7-4-8-12-15/h3-13,16H,1-2H3/b18-17-.
What are the key properties of 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine?
3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine has a molecular weight of 282.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N,5-diphenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 4139876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).