3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide

C11H10F3NO3S — CID 16664113

IUPAC3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)CCC(COc2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)8-1-3-10(4-2-8)18-7-9-5-6-19(16,17)15-9/h1-4H,5-7H2
InChIKeyMAWLJDWQOMVKQK-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.26
Rot. Bonds3

About 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide

3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide (PubChem CID 16664113) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide
PubChem CID16664113
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)CCC(COc2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)8-1-3-10(4-2-8)18-7-9-5-6-19(16,17)15-9/h1-4H,5-7H2
InChIKeyMAWLJDWQOMVKQK-UHFFFAOYSA-N
XLogP2.26
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S,E)-2-Methyl-N-(2,2,2-trifluoro-1-(4-(4,4,4-trifluorobutoxy) phenyl)ethylidene)propane-2-sulfinamide
CID 117719625
(4-(Trifluoromethoxy)phenyl)methanesulfonamide
CID 62085632
(R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5-sulfonic acid amide
CID 11043347
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-thiazolidine 1,1-dioxide
CID 44220236
(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]propane-2-sulfinamide
CID 135077951
(NE,S)-2-methyl-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]propane-2-sulfinamide
CID 135078550
[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] propane-1-sulfonate
CID 18674526
[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate
CID 18674533
[(Z)-[2,2,2-trifluoro-1-[4-[3-[4-[(Z)-N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenoxy]propoxy]phenyl]ethylidene]amino] propane-1-sulfonate
CID 20670623
2-(2-Fluoro-4-methylphenoxy)ethanesulfonate
CID 21333676
3-[4-[(Z)-N-methylsulfonyloxy-C-(trifluoromethyl)carbonimidoyl]phenoxy]propyl sulfate
CID 23591329
2-[4-[(Z)-N-methylsulfonyloxy-C-(trifluoromethyl)carbonimidoyl]phenoxy]ethanesulfonate
CID 23591346

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide?
The IUPAC name of 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide (CID 16664113) is 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide is O=S1(=O)CCC(COc2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide?
The InChIKey is MAWLJDWQOMVKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c12-11(13,14)8-1-3-10(4-2-8)18-7-9-5-6-19(16,17)15-9/h1-4H,5-7H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide?
3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide has a molecular weight of 293.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 16664113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).