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

C9H14FN3S — CID 126792370

IUPAC3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2CF)n1
InChIInChI=1S/C9H14FN3S/c1-2-8-11-9(14-12-8)13-5-3-4-7(13)6-10/h7H,2-6H2,1H3
InChIKeyOACKOFNKHFYZLS-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.04
Rot. Bonds3

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

3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 126792370) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID126792370
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2CF)n1
InChIInChI=1S/C9H14FN3S/c1-2-8-11-9(14-12-8)13-5-3-4-7(13)6-10/h7H,2-6H2,1H3
InChIKeyOACKOFNKHFYZLS-UHFFFAOYSA-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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Related Compounds

5-(2,5-Dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 84595118
3-methyl-5-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]-1,2,4-thiadiazole
CID 99811991
3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 129349481
5-[2-(Bromomethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306114
5-[2-(Fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 122131759
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
5-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143607
5-(3-Fluoropiperidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 126782187
5-Pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 126973553
5-(3,3-Difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 126990337
5-[(3R)-3-fluoropiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 129321434
5-[(3S)-3-fluoropiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 129321435

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 126792370) is 3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCCC2CF)n1.
What is the InChIKey of 3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is OACKOFNKHFYZLS-UHFFFAOYSA-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.
What are the key properties of 3-ethyl-5-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[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-[2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 126792370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).