5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine

C11H12F3NOS — CID 107105145

IUPAC5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine
SMILESCC1CNC(c2cccc(OC(F)(F)F)c2)S1
InChIInChI=1S/C11H12F3NOS/c1-7-6-15-10(17-7)8-3-2-4-9(5-8)16-11(12,13)14/h2-5,7,10,15H,6H2,1H3
InChIKeyQZKMSXDEDOROBC-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.31
Rot. Bonds2

About 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine

5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine (PubChem CID 107105145) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine.

Molecular Properties

Compound Name5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine
PubChem CID107105145
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine
SMILESCC1CNC(c2cccc(OC(F)(F)F)c2)S1
InChIInChI=1S/C11H12F3NOS/c1-7-6-15-10(17-7)8-3-2-4-9(5-8)16-11(12,13)14/h2-5,7,10,15H,6H2,1H3
InChIKeyQZKMSXDEDOROBC-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane
CID 66224206
2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81416661
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
(1S,5R)-6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166708564
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine
CID 106778899
6,7-diethoxy-1-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485398
[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81010948
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81415060
N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 63511320
2-(3,5-dichlorophenyl)-5-methyl-1,3-thiazolidine
CID 66241836

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine?
The IUPAC name of 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine (CID 107105145) is 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine.
What is the SMILES notation for 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine?
The canonical SMILES for 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine is CC1CNC(c2cccc(OC(F)(F)F)c2)S1.
What is the InChIKey of 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine?
The InChIKey is QZKMSXDEDOROBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c1-7-6-15-10(17-7)8-3-2-4-9(5-8)16-11(12,13)14/h2-5,7,10,15H,6H2,1H3.
What are the key properties of 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine?
5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine has a molecular weight of 263.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine is sourced from PubChem (CID 107105145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).