3-methyl-5-(trifluoromethyl)-1,3-thiazolidine

C5H8F3NS — CID 145167743

IUPAC3-methyl-5-(trifluoromethyl)-1,3-thiazolidine
SMILESCN1CSC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NS/c1-9-2-4(10-3-9)5(6,7)8/h4H,2-3H2,1H3
InChIKeyTZYUXPYLURYLIX-UHFFFAOYSA-N
MW171.19 g/mol
LogP1.55
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine

3-methyl-5-(trifluoromethyl)-1,3-thiazolidine (PubChem CID 145167743) has the molecular formula C5H8F3NS and a molecular weight of 171.19 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,3-thiazolidine
PubChem CID145167743
Molecular FormulaC5H8F3NS
Molecular Weight171.19 g/mol
Exact Mass171.03
IUPAC Name3-methyl-5-(trifluoromethyl)-1,3-thiazolidine
SMILESCN1CSC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NS/c1-9-2-4(10-3-9)5(6,7)8/h4H,2-3H2,1H3
InChIKeyTZYUXPYLURYLIX-UHFFFAOYSA-N
XLogP1.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Trifluoromethyl-3-methylthiazolidine-2-thione
CID 608403
3-Ethyl-5-trifluoromethylthiazolidine-2-thione
CID 611961
2,3-Dimethyl-5-(trifluoromethyl)-1,3-thiazolidine
CID 123476501
3,3-Difluoro-1-(1-methylsulfanylethyl)pyrrolidine
CID 123477880
4-Fluoro-1-methyl-2-methylsulfanylpyrrolidine
CID 123744060
2,2,2-trifluoro-N,N-dimethyl-1-propan-2-ylsulfanylethanamine
CID 132029641
(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine
CID 134184047
3,3-Difluoro-1-(methylsulfanylmethyl)pyrrolidine
CID 135188379
3-Ethyl-2-(trifluoromethyl)-1,3-thiazolidine
CID 145167727
3-Methyl-4-(trifluoromethyl)-1,3-thiazolidine
CID 145167729
3,3-Difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
CID 146621230
3-(3-Fluoropropyl)-1,3-thiazolidine
CID 164561230

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine (CID 145167743) is 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine is CN1CSC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine?
The InChIKey is TZYUXPYLURYLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NS/c1-9-2-4(10-3-9)5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine?
3-methyl-5-(trifluoromethyl)-1,3-thiazolidine has a molecular weight of 171.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine is sourced from PubChem (CID 145167743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).