3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine

C6H10FN3S — CID 130478087

IUPAC3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCF)n1
InChIInChI=1S/C6H10FN3S/c1-2-5-9-6(11-10-5)8-4-3-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyWNTJPHNRBZUZMC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.48
Rot. Bonds4

About 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 130478087) has the molecular formula C6H10FN3S and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID130478087
Molecular FormulaC6H10FN3S
Molecular Weight175.23 g/mol
Exact Mass175.06
IUPAC Name3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCF)n1
InChIInChI=1S/C6H10FN3S/c1-2-5-9-6(11-10-5)8-4-3-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyWNTJPHNRBZUZMC-UHFFFAOYSA-N
XLogP1.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine (CID 130478087) is 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCF)n1.
What is the InChIKey of 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WNTJPHNRBZUZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3S/c1-2-5-9-6(11-10-5)8-4-3-7/h2-4H2,1H3,(H,8,9,10).
What are the key properties of 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 175.23 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130478087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).