3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide

C5H8F3NOS — CID 145167741

IUPAC3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide
SMILESCN1CCS(=O)C1C(F)(F)F
InChIInChI=1S/C5H8F3NOS/c1-9-2-3-11(10)4(9)5(6,7)8/h4H,2-3H2,1H3
InChIKeyOATFQPWKQKISEU-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.57
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide

3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide (PubChem CID 145167741) has the molecular formula C5H8F3NOS and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide
PubChem CID145167741
Molecular FormulaC5H8F3NOS
Molecular Weight187.19 g/mol
Exact Mass187.03
IUPAC Name3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide
SMILESCN1CCS(=O)C1C(F)(F)F
InChIInChI=1S/C5H8F3NOS/c1-9-2-3-11(10)4(9)5(6,7)8/h4H,2-3H2,1H3
InChIKeyOATFQPWKQKISEU-UHFFFAOYSA-N
XLogP0.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-2-(trifluoromethyl)-1,3-thiazolidine
CID 145167727
2-Methyl-3-(trifluoromethyl)-1,3-thiazolidine
CID 174906340
3-Methyl-2-(trifluoromethyl)-1,3-thiazolidine
CID 162597236
3-Methyl-2-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide
CID 162597237
3-Ethyl-1,3-thiazolidine 1-oxide
CID 88976067
2,3-Dimethyl-1,3-thiazolidine 1-oxide
CID 154470846

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide (CID 145167741) is 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide is CN1CCS(=O)C1C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide?
The InChIKey is OATFQPWKQKISEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NOS/c1-9-2-3-11(10)4(9)5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide?
3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide has a molecular weight of 187.19 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-1,3-thiazolidine 1-oxide is sourced from PubChem (CID 145167741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).