2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole

C8H11F2N3S — CID 121199094

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(F)(F)CC2)s1
InChIInChI=1S/C8H11F2N3S/c1-6-11-12-7(14-6)13-4-2-8(9,10)3-5-13/h2-5H2,1H3
InChIKeyAVLNUNHFUUXOTJ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.08
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole

2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 121199094) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID121199094
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(F)(F)CC2)s1
InChIInChI=1S/C8H11F2N3S/c1-6-11-12-7(14-6)13-4-2-8(9,10)3-5-13/h2-5H2,1H3
InChIKeyAVLNUNHFUUXOTJ-UHFFFAOYSA-N
XLogP2.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole (CID 121199094) is 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCC(F)(F)CC2)s1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is AVLNUNHFUUXOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c1-6-11-12-7(14-6)13-4-2-8(9,10)3-5-13/h2-5H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole?
2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 219.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 121199094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).