3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole

C6H9FN2S2 — CID 131206872

IUPAC3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole
SMILESCCc1nsc(SCCF)n1
InChIInChI=1S/C6H9FN2S2/c1-2-5-8-6(11-9-5)10-4-3-7/h2-4H2,1H3
InChIKeyVFTGJCRETAUIPO-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.16
Rot. Bonds4

About 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole

3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole (PubChem CID 131206872) has the molecular formula C6H9FN2S2 and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole
PubChem CID131206872
Molecular FormulaC6H9FN2S2
Molecular Weight192.28 g/mol
Exact Mass192.02
IUPAC Name3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole
SMILESCCc1nsc(SCCF)n1
InChIInChI=1S/C6H9FN2S2/c1-2-5-8-6(11-9-5)10-4-3-7/h2-4H2,1H3
InChIKeyVFTGJCRETAUIPO-UHFFFAOYSA-N
XLogP2.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,4-Difluorobut-3-enylsulfanyl)-3-ethyl-1,2,4-thiadiazole
CID 21850546
5-Ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 170080917
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3,3,3-trifluoropropan-1-amine
CID 80425247
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-ethyl-1,2,4-thiadiazole
CID 80426004
(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl-trifluoroboranuide
CID 80431154
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
CID 103371268
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]prop-1-en-2-yl-trifluoroboranuide
CID 106747068
3-Ethyl-5-methylsulfanyl-1,2,4-thiadiazole
CID 21403838
3-Methyl-5-prop-2-ynylsulfanyl-1,2,4-thiadiazole
CID 21403840
5-Methylsulfanyl-3-propyl-1,2,4-thiadiazole
CID 21403844
3-Ethyl-5-prop-2-ynylsulfanyl-1,2,4-thiadiazole
CID 21403850

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole (CID 131206872) is 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole is CCc1nsc(SCCF)n1.
What is the InChIKey of 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole?
The InChIKey is VFTGJCRETAUIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S2/c1-2-5-8-6(11-9-5)10-4-3-7/h2-4H2,1H3.
What are the key properties of 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole?
3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole has a molecular weight of 192.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 131206872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).