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

C5H5F3N2S2 — CID 170080917

IUPAC5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCSc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2S2/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
InChIKeyXAPHHXHWDORFPD-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.67
Rot. Bonds2

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

5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 170080917) has the molecular formula C5H5F3N2S2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID170080917
Molecular FormulaC5H5F3N2S2
Molecular Weight214.24 g/mol
Exact Mass213.98
IUPAC Name5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCSc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2S2/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
InChIKeyXAPHHXHWDORFPD-UHFFFAOYSA-N
XLogP2.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethylsulfanyl-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

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-5,6-dihydro-4H-1,3-thiazine
CID 22016861
3-Methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
CID 118466200
5-Methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 130637668
5-Methyl-3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
CID 135170698
5-Methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
CID 135170707
5-Ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163588582
5-Methylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163623582
5-Ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163871675
5-Propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163875250
3,3,3-Trifluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-amine
CID 80425324
5-(2-Bromo-3,3,3-trifluoropropyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 80425945
Trifluoro-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]boranuide
CID 80431181

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 170080917) is 5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole is CCSc1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is XAPHHXHWDORFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S2/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3.
What are the key properties of 5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 214.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 170080917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).