5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole

C11H9F3N2O2S — CID 118071455

IUPAC5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESCOCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1
InChIInChI=1S/C11H9F3N2O2S/c1-17-6-9-15-10(16-19-9)7-2-4-8(5-3-7)18-11(12,13)14/h2-5H,6H2,1H3
InChIKeySJJQCYLPACZAQH-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.25
Rot. Bonds4

About 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole

5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (PubChem CID 118071455) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
PubChem CID118071455
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC Name5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESCOCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1
InChIInChI=1S/C11H9F3N2O2S/c1-17-6-9-15-10(16-19-9)7-2-4-8(5-3-7)18-11(12,13)14/h2-5H,6H2,1H3
InChIKeySJJQCYLPACZAQH-UHFFFAOYSA-N
XLogP3.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 10014953
3,5-Bis(3-methoxyphenyl)-1,2,4-thiadiazole
CID 56837846
3,5-Bis(4-methoxyphenyl)-1,2,4-thiadiazole
CID 596715
Ethyl 3-(4-methoxyphenyl)-[1,2,4]thiadiazole-5-carboxylate
CID 12601460
N-tert-butyl-1-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]methanimine oxide
CID 25132880
3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 16446930
4-Methyl-5-(4-trifluoromethoxyphenyl)-4h-1,2,4-triazol-3-ylmethanol
CID 168008001
[3-(4-Trifluoromethoxyphenyl)[1,2,4]thiadiazol-5-yl]methanol
CID 16756658
5-Bromomethyl-3-(4-trifluoromethoxyphenyl)[1,2,4]thiadiazole
CID 16756659
[5-(4-Trifluoromethoxyphenyl)[1,2,4]thiadiazol-3-yl]methanol
CID 16756775
3-Bromomethyl-5-(4-trifluoromethoxyphenyl)[1,2,4]thiadiazole
CID 16756776
3-(4-Trifluoromethoxyphenyl)-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester
CID 16756983

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The IUPAC name of 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (CID 118071455) is 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is COCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1.
What is the InChIKey of 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The InChIKey is SJJQCYLPACZAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c1-17-6-9-15-10(16-19-9)7-2-4-8(5-3-7)18-11(12,13)14/h2-5H,6H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole has a molecular weight of 290.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 118071455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).