3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole

C4H3F3N2OS — CID 118466199

IUPAC3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OC(F)(F)F)n1
InChIInChI=1S/C4H3F3N2OS/c1-2-8-3(11-9-2)10-4(5,6)7/h1H3
InChIKeyWDVWVPGAOLLJOX-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.75
Rot. Bonds1

About 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole

3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole (PubChem CID 118466199) has the molecular formula C4H3F3N2OS and a molecular weight of 184.14 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole
PubChem CID118466199
Molecular FormulaC4H3F3N2OS
Molecular Weight184.14 g/mol
Exact Mass183.99
IUPAC Name3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OC(F)(F)F)n1
InChIInChI=1S/C4H3F3N2OS/c1-2-8-3(11-9-2)10-4(5,6)7/h1H3
InChIKeyWDVWVPGAOLLJOX-UHFFFAOYSA-N
XLogP1.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-3-(difluoromethyl)-1,2,4-thiadiazole
CID 22157821
5-Bromo-3-(difluoromethyl)-1,2,4-thiadiazole
CID 154706545
5-Ethoxy-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 13337753
5-Methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 20718414
3-Methyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 23528318
CID 59497977
CID 59497977
CID 59498013
CID 59498013
5-Fluoro-3-methyl-1,2,4-thiadiazole
CID 68382243
3-Methyl-5-(trifluoromethoxysulfanyl)-1,2,4-thiadiazole
CID 70841976
5-Methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole
CID 118466186
3-Methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
CID 118466200
3-Propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946124

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole (CID 118466199) is 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole is Cc1nsc(OC(F)(F)F)n1.
What is the InChIKey of 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole?
The InChIKey is WDVWVPGAOLLJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2OS/c1-2-8-3(11-9-2)10-4(5,6)7/h1H3.
What are the key properties of 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole?
3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole has a molecular weight of 184.14 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 118466199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).