5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide

C10H6F3NO2S — CID 162579397

IUPAC5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)N=CC=C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-14-17(9,15)16/h1-6H
InChIKeyYQAPRABZKDYVRW-UHFFFAOYSA-N
MW261.22 g/mol
LogP2.46
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide

5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide (PubChem CID 162579397) has the molecular formula C10H6F3NO2S and a molecular weight of 261.22 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide
PubChem CID162579397
Molecular FormulaC10H6F3NO2S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)N=CC=C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-14-17(9,15)16/h1-6H
InChIKeyYQAPRABZKDYVRW-UHFFFAOYSA-N
XLogP2.46
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
3-[3-(trifluoromethyl)phenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 66485124
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
CID 119006662
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde
CID 87368454
3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 88932507

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide (CID 162579397) is 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide is O=S1(=O)N=CC=C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide?
The InChIKey is YQAPRABZKDYVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-14-17(9,15)16/h1-6H.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide?
5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide has a molecular weight of 261.22 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 162579397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).