4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole

C8H12FN3S — CID 126980924

IUPAC4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole
SMILESFC(Cc1csnn1)C1CCCN1
InChIInChI=1S/C8H12FN3S/c9-7(8-2-1-3-10-8)4-6-5-13-12-11-6/h5,7-8,10H,1-4H2
InChIKeyGAZCCYQYUPISKY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.17
Rot. Bonds3

About 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole

4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole (PubChem CID 126980924) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole.

Molecular Properties

Compound Name4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole
PubChem CID126980924
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole
SMILESFC(Cc1csnn1)C1CCCN1
InChIInChI=1S/C8H12FN3S/c9-7(8-2-1-3-10-8)4-6-5-13-12-11-6/h5,7-8,10H,1-4H2
InChIKeyGAZCCYQYUPISKY-UHFFFAOYSA-N
XLogP1.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole?
The IUPAC name of 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole (CID 126980924) is 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole.
What is the SMILES notation for 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole?
The canonical SMILES for 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole is FC(Cc1csnn1)C1CCCN1.
What is the InChIKey of 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole?
The InChIKey is GAZCCYQYUPISKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c9-7(8-2-1-3-10-8)4-6-5-13-12-11-6/h5,7-8,10H,1-4H2.
What are the key properties of 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole?
4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole has a molecular weight of 201.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2-pyrrolidin-2-ylethyl)thiadiazole is sourced from PubChem (CID 126980924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).