3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole

C9H14FN3S — CID 129349481

IUPAC3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC[C@@H]2CF)n1
InChIInChI=1S/C9H14FN3S/c1-2-8-11-9(14-12-8)13-5-3-4-7(13)6-10/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyOACKOFNKHFYZLS-SSDOTTSWSA-N
MW215.30 g/mol
LogP2.04
Rot. Bonds3

About 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 129349481) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID129349481
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC[C@@H]2CF)n1
InChIInChI=1S/C9H14FN3S/c1-2-8-11-9(14-12-8)13-5-3-4-7(13)6-10/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyOACKOFNKHFYZLS-SSDOTTSWSA-N
XLogP2.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 129349481) is 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCC[C@@H]2CF)n1.
What is the InChIKey of 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is OACKOFNKHFYZLS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-2-8-11-9(14-12-8)13-5-3-4-7(13)6-10/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 215.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 129349481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).