2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole

C10H16FN3S — CID 126790333

IUPAC2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCCC(C)(F)C2)s1
InChIInChI=1S/C10H16FN3S/c1-8-12-13-9(15-8)6-14-5-3-4-10(2,11)7-14/h3-7H2,1-2H3
InChIKeyJXWMNZSDJLLFTH-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.17
Rot. Bonds2

About 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole

2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 126790333) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
PubChem CID126790333
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCCC(C)(F)C2)s1
InChIInChI=1S/C10H16FN3S/c1-8-12-13-9(15-8)6-14-5-3-4-10(2,11)7-14/h3-7H2,1-2H3
InChIKeyJXWMNZSDJLLFTH-UHFFFAOYSA-N
XLogP2.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-4-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-YL)methyl]piperidine
CID 131928762
2-Chloro-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 80609199
2-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126793776
1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-4-fluoropiperidine
CID 164657801
2-Chloro-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80609323
2-Chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80609343
2-Chloro-5-[(2,5-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80609346
2-Chloro-5-[(4,4-diethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80609538
1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 80609968
2-Chloro-5-[(3,3-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80610226
2-Chloro-5-[(3-ethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80610440
2-Chloro-5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80610452

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole (CID 126790333) is 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(CN2CCCC(C)(F)C2)s1.
What is the InChIKey of 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is JXWMNZSDJLLFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-8-12-13-9(15-8)6-14-5-3-4-10(2,11)7-14/h3-7H2,1-2H3.
What are the key properties of 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 229.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 126790333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).