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

C6H10F3NS — CID 145167727

IUPAC3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine
SMILESCCN1CCSC1C(F)(F)F
InChIInChI=1S/C6H10F3NS/c1-2-10-3-4-11-5(10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyPQUFNKXLRRYURN-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.94
Rot. Bonds1

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

3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine (PubChem CID 145167727) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine
PubChem CID145167727
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine
SMILESCCN1CCSC1C(F)(F)F
InChIInChI=1S/C6H10F3NS/c1-2-10-3-4-11-5(10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyPQUFNKXLRRYURN-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine?
The IUPAC name of 3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine (CID 145167727) is 3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine.
What is the SMILES notation for 3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine?
The canonical SMILES for 3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine is CCN1CCSC1C(F)(F)F.
What is the InChIKey of 3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine?
The InChIKey is PQUFNKXLRRYURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c1-2-10-3-4-11-5(10)6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine?
3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine has a molecular weight of 185.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(trifluoromethyl)-1,3-thiazolidine is sourced from PubChem (CID 145167727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).