3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine

C6H9F3N2S — CID 67812852

IUPAC3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCC(F)(F)F
InChIInChI=1S/C6H9F3N2S/c7-6(8,9)1-2-11-3-4-12-5(11)10/h10H,1-4H2/b10-5-
InChIKeyXTSMZGKXVYVCEL-YHYXMXQVSA-N
MW198.21 g/mol
LogP1.92
Rot. Bonds2

About 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine

3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine (PubChem CID 67812852) has the molecular formula C6H9F3N2S and a molecular weight of 198.21 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine
PubChem CID67812852
Molecular FormulaC6H9F3N2S
Molecular Weight198.21 g/mol
Exact Mass198.04
IUPAC Name3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCC(F)(F)F
InChIInChI=1S/C6H9F3N2S/c7-6(8,9)1-2-11-3-4-12-5(11)10/h10H,1-4H2/b10-5-
InChIKeyXTSMZGKXVYVCEL-YHYXMXQVSA-N
XLogP1.92
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Propyl-1,3-thiazolidin-2-imine;hydrobromide
CID 90654238
2-Imino-3,5-dimethylthiazolidine
CID 5131681
4-Trifluoromethyl-3-methylthiazolidine-2-imine
CID 560523
3-(3-Fluoropropyl)-1,3-thiazolidin-2-imine
CID 57035099
Methyl 3,3-difluoropyrrolidine-1-carboximidothioate
CID 123817072
3-Propylthiazolidin-2-imine
CID 45087999
3-(2-Fluoroethyl)thiazolidin-2-imine
CID 45088199
1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-2-imine
CID 106429869
3-Ethyl-5-methylthiazolidin-2-imine
CID 3694509
2-Imino-3-n-butylthiazolidine
CID 21475745
3-(3-Fluoropropyl)-1,3-thiazolidin-2-imine;hydrobromide
CID 67658627
(5S)-3,5-dimethyl-1,3-thiazolidin-2-imine
CID 768209

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine (CID 67812852) is 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine is [H]/N=C1\SCCN1CCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine?
The InChIKey is XTSMZGKXVYVCEL-YHYXMXQVSA-N. The full InChI is InChI=1S/C6H9F3N2S/c7-6(8,9)1-2-11-3-4-12-5(11)10/h10H,1-4H2/b10-5-.
What are the key properties of 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine?
3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine has a molecular weight of 198.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 67812852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).