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

C7H9F2N3S — CID 141352816

IUPAC3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
SMILESFC1(F)CCN(c2ncsn2)CC1
InChIInChI=1S/C7H9F2N3S/c8-7(9)1-3-12(4-2-7)6-10-5-13-11-6/h5H,1-4H2
InChIKeyFTXCXPPQVXBUJT-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.77
Rot. Bonds1

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

3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 141352816) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID141352816
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC Name3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
SMILESFC1(F)CCN(c2ncsn2)CC1
InChIInChI=1S/C7H9F2N3S/c8-7(9)1-3-12(4-2-7)6-10-5-13-11-6/h5H,1-4H2
InChIKeyFTXCXPPQVXBUJT-UHFFFAOYSA-N
XLogP1.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 71221271
3-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 141352814
3-(4-Fluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 141352817
3-(3,3-Difluoropyrrolidin-1-yl)-1,2,4-thiadiazole
CID 141352818
5-Piperidin-1-yl-1,2,4-thiadiazole
CID 90942214
3-Piperidin-1-yl-1,2,4-thiadiazole
CID 175948156

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole (CID 141352816) is 3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole is FC1(F)CCN(c2ncsn2)CC1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is FTXCXPPQVXBUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c8-7(9)1-3-12(4-2-7)6-10-5-13-11-6/h5H,1-4H2.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole?
3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 205.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 141352816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).