4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole

C9H14FN3S — CID 126790284

IUPAC4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1(F)CCCN(Cc2csnn2)C1
InChIInChI=1S/C9H14FN3S/c1-9(10)3-2-4-13(7-9)5-8-6-14-12-11-8/h6H,2-5,7H2,1H3
InChIKeyJHENVGMFGYDQLG-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.86
Rot. Bonds2

About 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole

4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole (PubChem CID 126790284) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
PubChem CID126790284
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1(F)CCCN(Cc2csnn2)C1
InChIInChI=1S/C9H14FN3S/c1-9(10)3-2-4-13(7-9)5-8-6-14-12-11-8/h6H,2-5,7H2,1H3
InChIKeyJHENVGMFGYDQLG-UHFFFAOYSA-N
XLogP1.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole (CID 126790284) is 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole is CC1(F)CCCN(Cc2csnn2)C1.
What is the InChIKey of 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole?
The InChIKey is JHENVGMFGYDQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-9(10)3-2-4-13(7-9)5-8-6-14-12-11-8/h6H,2-5,7H2,1H3.
What are the key properties of 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole?
4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole has a molecular weight of 215.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 126790284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).