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

C10H15F2N3OS — CID 154582952

IUPAC5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H15F2N3OS/c1-16-7-2-8-13-9(17-14-8)15-5-3-10(11,12)4-6-15/h2-7H2,1H3
InChIKeyBTBNQAPHEKUPOE-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.96
Rot. Bonds4

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

5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 154582952) has the molecular formula C10H15F2N3OS and a molecular weight of 263.31 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID154582952
Molecular FormulaC10H15F2N3OS
Molecular Weight263.31 g/mol
Exact Mass263.09
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H15F2N3OS/c1-16-7-2-8-13-9(17-14-8)15-5-3-10(11,12)4-6-15/h2-7H2,1H3
InChIKeyBTBNQAPHEKUPOE-UHFFFAOYSA-N
XLogP1.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130467102
3-[(1S)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216085
3-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxypropan-1-amine
CID 107305431
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305657
5-[4-(2-Bromoethoxy)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306153
5-[4-(2-Chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306154
2-[2,2-Difluoroethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484247
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484532
5-(4,4-Difluoropiperidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 121199093
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine
CID 125419912
5-(3-Fluoropiperidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 126782187
5-[(3R)-3-fluoropiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 129321434

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 154582952) is 5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is BTBNQAPHEKUPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3OS/c1-16-7-2-8-13-9(17-14-8)15-5-3-10(11,12)4-6-15/h2-7H2,1H3.
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 263.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 154582952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).