5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole

C9H14FN3S — CID 126790732

IUPAC5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(CF)CC2)n1
InChIInChI=1S/C9H14FN3S/c1-7-11-9(14-12-7)13-4-2-8(6-10)3-5-13/h8H,2-6H2,1H3
InChIKeyKWLQNNWQDGROBP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.03
Rot. Bonds2

About 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 126790732) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID126790732
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(CF)CC2)n1
InChIInChI=1S/C9H14FN3S/c1-7-11-9(14-12-7)13-4-2-8(6-10)3-5-13/h8H,2-6H2,1H3
InChIKeyKWLQNNWQDGROBP-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127447355
5-[3-(chloromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 65273292
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
CID 65273588
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
CID 59598889
5-(4-chloroazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127004433
3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 154575527
5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133334882
5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 99811960
N-cyclopropyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
CID 163345339
5-(4,4-dimethylazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 133323324
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044

Frequently Asked Questions

What is the IUPAC name of 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 126790732) is 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCC(CF)CC2)n1.
What is the InChIKey of 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is KWLQNNWQDGROBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-7-11-9(14-12-7)13-4-2-8(6-10)3-5-13/h8H,2-6H2,1H3.
What are the key properties of 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 215.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 126790732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).