2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole

C11H6F3N5OS — CID 167774625

IUPAC2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(Oc2cccc(-n3ccnn3)c2)s1
InChIInChI=1S/C11H6F3N5OS/c12-11(13,14)9-16-17-10(21-9)20-8-3-1-2-7(6-8)19-5-4-15-18-19/h1-6H
InChIKeyGZECILIKLAZUDM-UHFFFAOYSA-N
MW313.26 g/mol
LogP2.93
Rot. Bonds3

About 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole

2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 167774625) has the molecular formula C11H6F3N5OS and a molecular weight of 313.26 g/mol. Its IUPAC name is 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID167774625
Molecular FormulaC11H6F3N5OS
Molecular Weight313.26 g/mol
Exact Mass313.02
IUPAC Name2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(Oc2cccc(-n3ccnn3)c2)s1
InChIInChI=1S/C11H6F3N5OS/c12-11(13,14)9-16-17-10(21-9)20-8-3-1-2-7(6-8)19-5-4-15-18-19/h1-6H
InChIKeyGZECILIKLAZUDM-UHFFFAOYSA-N
XLogP2.93
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole 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 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 167774625) is 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(Oc2cccc(-n3ccnn3)c2)s1.
What is the InChIKey of 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is GZECILIKLAZUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5OS/c12-11(13,14)9-16-17-10(21-9)20-8-3-1-2-7(6-8)19-5-4-15-18-19/h1-6H.
What are the key properties of 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 313.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(triazol-1-yl)phenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 167774625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).