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

C4H3F3N2OS — CID 118466186

IUPAC5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole
SMILESCc1nc(OC(F)(F)F)ns1
InChIInChI=1S/C4H3F3N2OS/c1-2-8-3(9-11-2)10-4(5,6)7/h1H3
InChIKeyCJYDFQWUBUTXLQ-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.75
Rot. Bonds1

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

5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole (PubChem CID 118466186) has the molecular formula C4H3F3N2OS and a molecular weight of 184.14 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole
PubChem CID118466186
Molecular FormulaC4H3F3N2OS
Molecular Weight184.14 g/mol
Exact Mass183.99
IUPAC Name5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole
SMILESCc1nc(OC(F)(F)F)ns1
InChIInChI=1S/C4H3F3N2OS/c1-2-8-3(9-11-2)10-4(5,6)7/h1H3
InChIKeyCJYDFQWUBUTXLQ-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-Methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 20718414
3-Methyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 23528318
3-Fluoro-5-methyl-1,2,4-thiadiazole
CID 59049200
CID 59497977
CID 59497977
3-Methyl-5-(trifluoromethoxysulfanyl)-1,2,4-thiadiazole
CID 70841976
5-Methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
CID 118466185
3-Methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 118466199
Ethane;5-methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 144394777
5-Propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946119
3-Methoxy-5-methyl-1,2,4-thiadiazole
CID 58328470
3-Isocyanato-5-methyl-1,2,4-thiadiazole
CID 83913977

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole (CID 118466186) is 5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole is Cc1nc(OC(F)(F)F)ns1.
What is the InChIKey of 5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole?
The InChIKey is CJYDFQWUBUTXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2OS/c1-2-8-3(9-11-2)10-4(5,6)7/h1H3.
What are the key properties of 5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole?
5-methyl-3-(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 5-methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 118466186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).