5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole

C4H3F3N2S2 — CID 130637668

IUPAC5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCSc1nc(C(F)(F)F)ns1
InChIInChI=1S/C4H3F3N2S2/c1-10-3-8-2(9-11-3)4(5,6)7/h1H3
InChIKeyWBCMLQGDFRMJNP-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.28
Rot. Bonds1

About 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole

5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 130637668) has the molecular formula C4H3F3N2S2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID130637668
Molecular FormulaC4H3F3N2S2
Molecular Weight200.21 g/mol
Exact Mass199.97
IUPAC Name5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCSc1nc(C(F)(F)F)ns1
InChIInChI=1S/C4H3F3N2S2/c1-10-3-8-2(9-11-3)4(5,6)7/h1H3
InChIKeyWBCMLQGDFRMJNP-UHFFFAOYSA-N
XLogP2.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methylsulfanyl-3-(trifluoromethyl)-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

3-Methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
CID 118466200
5-Methylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 119095948
5-Methylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163623582
5-Ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 170080917
Trifluoro-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]boranuide
CID 80431181
3-Methyl-5-(methylsulfanyl)-1,2,4-thiadiazole
CID 21403821

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 130637668) is 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole is CSc1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is WBCMLQGDFRMJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S2/c1-10-3-8-2(9-11-3)4(5,6)7/h1H3.
What are the key properties of 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 200.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 130637668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).