4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine

C10H17F3N2S — CID 136952797

IUPAC4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCCCC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S/c1-9(2)7-16-8(15-9)14-6-4-3-5-10(11,12)13/h3-7H2,1-2H3,(H,14,15)
InChIKeyYMQZSCIEPOBVSK-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.19
Rot. Bonds4

About 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine

4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine (PubChem CID 136952797) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine
PubChem CID136952797
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCCCC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S/c1-9(2)7-16-8(15-9)14-6-4-3-5-10(11,12)13/h3-7H2,1-2H3,(H,14,15)
InChIKeyYMQZSCIEPOBVSK-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine (CID 136952797) is 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\CCCCC(F)(F)F)N1.
What is the InChIKey of 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine?
The InChIKey is YMQZSCIEPOBVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c1-9(2)7-16-8(15-9)14-6-4-3-5-10(11,12)13/h3-7H2,1-2H3,(H,14,15).
What are the key properties of 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine has a molecular weight of 254.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136952797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).