5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole

C9H14FN3S — CID 126793840

IUPAC5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1(F)CCCN(Cc2cnns2)C1
InChIInChI=1S/C9H14FN3S/c1-9(10)3-2-4-13(7-9)6-8-5-11-12-14-8/h5H,2-4,6-7H2,1H3
InChIKeyBNABGZBLXYPZKR-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.86
Rot. Bonds2

About 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole

5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole (PubChem CID 126793840) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
PubChem CID126793840
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1(F)CCCN(Cc2cnns2)C1
InChIInChI=1S/C9H14FN3S/c1-9(10)3-2-4-13(7-9)6-8-5-11-12-14-8/h5H,2-4,6-7H2,1H3
InChIKeyBNABGZBLXYPZKR-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

Analyze 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
CID 126790284
4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488154
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
CID 129488024
4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
CID 129488025
(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
CID 129488138
5-(piperazin-1-ylmethyl)thiadiazole
CID 65215143
2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine
CID 129349414
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
CID 115012585
[4-(thiadiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 126983215
(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
CID 134195634
4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307348

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole (CID 126793840) is 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole is CC1(F)CCCN(Cc2cnns2)C1.
What is the InChIKey of 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole?
The InChIKey is BNABGZBLXYPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-9(10)3-2-4-13(7-9)6-8-5-11-12-14-8/h5H,2-4,6-7H2,1H3.
What are the key properties of 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole?
5-[(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 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 126793840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).