3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine

C5H7F3N2S — CID 560523

IUPAC3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCC(C(F)(F)F)N1C
InChIInChI=1S/C5H7F3N2S/c1-10-3(5(6,7)8)2-11-4(10)9/h3,9H,2H2,1H3/b9-4-
InChIKeyKTVHUITWEAMJEU-WTKPLQERSA-N
MW184.19 g/mol
LogP1.53
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine

3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine (PubChem CID 560523) has the molecular formula C5H7F3N2S and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine
PubChem CID560523
Molecular FormulaC5H7F3N2S
Molecular Weight184.19 g/mol
Exact Mass184.03
IUPAC Name3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCC(C(F)(F)F)N1C
InChIInChI=1S/C5H7F3N2S/c1-10-3(5(6,7)8)2-11-4(10)9/h3,9H,2H2,1H3/b9-4-
InChIKeyKTVHUITWEAMJEU-WTKPLQERSA-N
XLogP1.53
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
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-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine (CID 560523) is 3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine is [H]/N=C1\SCC(C(F)(F)F)N1C.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine?
The InChIKey is KTVHUITWEAMJEU-WTKPLQERSA-N. The full InChI is InChI=1S/C5H7F3N2S/c1-10-3(5(6,7)8)2-11-4(10)9/h3,9H,2H2,1H3/b9-4-.
What are the key properties of 3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine?
3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine has a molecular weight of 184.19 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 560523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).