4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine

C10H16F4N2S — CID 136819425

IUPAC4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C10H16F4N2S/c1-6(2)3-7-4-17-9(16-7)15-5-10(13,14)8(11)12/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyQEMVTQFZWLZAAJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.99
Rot. Bonds5

About 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine

4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine (PubChem CID 136819425) has the molecular formula C10H16F4N2S and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine
PubChem CID136819425
Molecular FormulaC10H16F4N2S
Molecular Weight272.31 g/mol
Exact Mass272.10
IUPAC Name4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C10H16F4N2S/c1-6(2)3-7-4-17-9(16-7)15-5-10(13,14)8(11)12/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyQEMVTQFZWLZAAJ-UHFFFAOYSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine (CID 136819425) is 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine is CC(C)CC1CS/C(=N\CC(F)(F)C(F)F)N1.
What is the InChIKey of 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine?
The InChIKey is QEMVTQFZWLZAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2S/c1-6(2)3-7-4-17-9(16-7)15-5-10(13,14)8(11)12/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine?
4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine has a molecular weight of 272.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136819425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).