3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol

C9H5F3N2OS2 — CID 107305654

IUPAC3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol
SMILESOc1cccc(Sc2nc(C(F)(F)F)ns2)c1
InChIInChI=1S/C9H5F3N2OS2/c10-9(11,12)7-13-8(17-14-7)16-6-3-1-2-5(15)4-6/h1-4,15H
InChIKeyQYPXCWCIYBRJME-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.41
Rot. Bonds2

About 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol

3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol (PubChem CID 107305654) has the molecular formula C9H5F3N2OS2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol
PubChem CID107305654
Molecular FormulaC9H5F3N2OS2
Molecular Weight278.28 g/mol
Exact Mass277.98
IUPAC Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol
SMILESOc1cccc(Sc2nc(C(F)(F)F)ns2)c1
InChIInChI=1S/C9H5F3N2OS2/c10-9(11,12)7-13-8(17-14-7)16-6-3-1-2-5(15)4-6/h1-4,15H
InChIKeyQYPXCWCIYBRJME-UHFFFAOYSA-N
XLogP3.41
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol 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

4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol
CID 113944080
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol
CID 113944081
4-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65273091
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65273092
4-[(3-Propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274596
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274598
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274599
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274654
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274655
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65274656
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65275439
4-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
CID 65275440

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol?
The IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol (CID 107305654) is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol?
The canonical SMILES for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol is Oc1cccc(Sc2nc(C(F)(F)F)ns2)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol?
The InChIKey is QYPXCWCIYBRJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2OS2/c10-9(11,12)7-13-8(17-14-7)16-6-3-1-2-5(15)4-6/h1-4,15H.
What are the key properties of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol?
3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol has a molecular weight of 278.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]phenol is sourced from PubChem (CID 107305654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).