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

C11H16FN3S — CID 166602978

IUPAC3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESFCC1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C11H16FN3S/c12-7-8-3-5-15(6-4-8)11-13-10(14-16-11)9-1-2-9/h8-9H,1-7H2
InChIKeyMUQWUTNZXUDWOY-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.60
Rot. Bonds3

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

3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 166602978) has the molecular formula C11H16FN3S and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID166602978
Molecular FormulaC11H16FN3S
Molecular Weight241.33 g/mol
Exact Mass241.10
IUPAC Name3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESFCC1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C11H16FN3S/c12-7-8-3-5-15(6-4-8)11-13-10(14-16-11)9-1-2-9/h8-9H,1-7H2
InChIKeyMUQWUTNZXUDWOY-UHFFFAOYSA-N
XLogP2.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (CID 166602978) is 3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is FCC1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is MUQWUTNZXUDWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3S/c12-7-8-3-5-15(6-4-8)11-13-10(14-16-11)9-1-2-9/h8-9H,1-7H2.
What are the key properties of 3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 241.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(fluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 166602978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).