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

C5H8F3NS — CID 174906340

IUPAC2-methyl-3-(trifluoromethyl)-1,3-thiazolidine
SMILESCC1SCCN1C(F)(F)F
InChIInChI=1S/C5H8F3NS/c1-4-9(2-3-10-4)5(6,7)8/h4H,2-3H2,1H3
InChIKeyLAGHZCDZTQVXJH-UHFFFAOYSA-N
MW171.19 g/mol
LogP1.90
Rot. Bonds

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

2-methyl-3-(trifluoromethyl)-1,3-thiazolidine (PubChem CID 174906340) has the molecular formula C5H8F3NS and a molecular weight of 171.19 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-1,3-thiazolidine
PubChem CID174906340
Molecular FormulaC5H8F3NS
Molecular Weight171.19 g/mol
Exact Mass171.03
IUPAC Name2-methyl-3-(trifluoromethyl)-1,3-thiazolidine
SMILESCC1SCCN1C(F)(F)F
InChIInChI=1S/C5H8F3NS/c1-4-9(2-3-10-4)5(6,7)8/h4H,2-3H2,1H3
InChIKeyLAGHZCDZTQVXJH-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-1,3-thiazolidine?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-1,3-thiazolidine (CID 174906340) is 2-methyl-3-(trifluoromethyl)-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-1,3-thiazolidine?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-1,3-thiazolidine is CC1SCCN1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-1,3-thiazolidine?
The InChIKey is LAGHZCDZTQVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NS/c1-4-9(2-3-10-4)5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-1,3-thiazolidine?
2-methyl-3-(trifluoromethyl)-1,3-thiazolidine has a molecular weight of 171.19 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-1,3-thiazolidine is sourced from PubChem (CID 174906340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).