4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine

C10H17F3N2S2 — CID 136842359

IUPAC4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CCSC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S2/c1-7(2)5-8-6-16-9(15-8)14-3-4-17-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyVQGIDFKRQIMCDC-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.35
Rot. Bonds5

About 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine

4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine (PubChem CID 136842359) has the molecular formula C10H17F3N2S2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine
PubChem CID136842359
Molecular FormulaC10H17F3N2S2
Molecular Weight286.39 g/mol
Exact Mass286.08
IUPAC Name4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CCSC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S2/c1-7(2)5-8-6-16-9(15-8)14-3-4-17-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyVQGIDFKRQIMCDC-UHFFFAOYSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine (CID 136842359) is 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine is CC(C)CC1CS/C(=N\CCSC(F)(F)F)N1.
What is the InChIKey of 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine?
The InChIKey is VQGIDFKRQIMCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S2/c1-7(2)5-8-6-16-9(15-8)14-3-4-17-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine?
4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine has a molecular weight of 286.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136842359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).