3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine

C12H16N2S — CID 23128591

IUPAC3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine
SMILESCN1/C(=N/c2ccccc2)SCC1(C)C
InChIInChI=1S/C12H16N2S/c1-12(2)9-15-11(14(12)3)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/b13-11-
InChIKeyUFGOEBRXWOKRIP-QBFSEMIESA-N
MW220.34 g/mol
LogP3.13
Rot. Bonds1

About 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine

3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine (PubChem CID 23128591) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine
PubChem CID23128591
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine
SMILESCN1/C(=N/c2ccccc2)SCC1(C)C
InChIInChI=1S/C12H16N2S/c1-12(2)9-15-11(14(12)3)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/b13-11-
InChIKeyUFGOEBRXWOKRIP-QBFSEMIESA-N
XLogP3.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.13
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 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine (CID 23128591) is 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine is CN1/C(=N/c2ccccc2)SCC1(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is UFGOEBRXWOKRIP-QBFSEMIESA-N. The full InChI is InChI=1S/C12H16N2S/c1-12(2)9-15-11(14(12)3)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/b13-11-.
What are the key properties of 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine?
3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 220.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 23128591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).