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

C4H3F3N2OS — CID 83959827

IUPAC[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol
SMILESOCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N2OS/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2
InChIKeyKZQLVIZINSWSIT-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.05
Rot. Bonds1

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

[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol (PubChem CID 83959827) has the molecular formula C4H3F3N2OS and a molecular weight of 184.14 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol
PubChem CID83959827
Molecular FormulaC4H3F3N2OS
Molecular Weight184.14 g/mol
Exact Mass183.99
IUPAC Name[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol
SMILESOCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N2OS/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2
InChIKeyKZQLVIZINSWSIT-UHFFFAOYSA-N
XLogP1.05
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol (CID 83959827) is [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol is OCc1nsc(C(F)(F)F)n1.
What is the InChIKey of [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol?
The InChIKey is KZQLVIZINSWSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2OS/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2.
What are the key properties of [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol?
[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol has a molecular weight of 184.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol is sourced from PubChem (CID 83959827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).