4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole

C9H14FN3S — CID 130550525

IUPAC4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole
SMILESFC(Cc1csnn1)C1CCCNC1
InChIInChI=1S/C9H14FN3S/c10-9(4-8-6-14-13-12-8)7-2-1-3-11-5-7/h6-7,9,11H,1-5H2
InChIKeyXSWKTIXCRNHKSN-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.42
Rot. Bonds3

About 4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole

4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole (PubChem CID 130550525) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole.

Molecular Properties

Compound Name4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole
PubChem CID130550525
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole
SMILESFC(Cc1csnn1)C1CCCNC1
InChIInChI=1S/C9H14FN3S/c10-9(4-8-6-14-13-12-8)7-2-1-3-11-5-7/h6-7,9,11H,1-5H2
InChIKeyXSWKTIXCRNHKSN-UHFFFAOYSA-N
XLogP1.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.42
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-piperidin-3-ylethyl)thiadiazole?
The IUPAC name of 4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole (CID 130550525) is 4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole.
What is the SMILES notation for 4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole?
The canonical SMILES for 4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole is FC(Cc1csnn1)C1CCCNC1.
What is the InChIKey of 4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole?
The InChIKey is XSWKTIXCRNHKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c10-9(4-8-6-14-13-12-8)7-2-1-3-11-5-7/h6-7,9,11H,1-5H2.
What are the key properties of 4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole?
4-(2-fluoro-2-piperidin-3-ylethyl)thiadiazole has a molecular weight of 215.30 g/mol, XLogP of 1.42, 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-piperidin-3-ylethyl)thiadiazole is sourced from PubChem (CID 130550525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).