5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole

C11H17F2N3OS — CID 166603160

IUPAC5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(C(F)F)CC2)n1
InChIInChI=1S/C11H17F2N3OS/c1-17-7-4-9-14-11(18-15-9)16-5-2-8(3-6-16)10(12)13/h8,10H,2-7H2,1H3
InChIKeyVYUWOHSXBPMNMQ-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.21
Rot. Bonds5

About 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole

5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 166603160) has the molecular formula C11H17F2N3OS and a molecular weight of 277.34 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID166603160
Molecular FormulaC11H17F2N3OS
Molecular Weight277.34 g/mol
Exact Mass277.11
IUPAC Name5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(C(F)F)CC2)n1
InChIInChI=1S/C11H17F2N3OS/c1-17-7-4-9-14-11(18-15-9)16-5-2-8(3-6-16)10(12)13/h8,10H,2-7H2,1H3
InChIKeyVYUWOHSXBPMNMQ-UHFFFAOYSA-N
XLogP2.21
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164635685
3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792112
3-[(1S,3R)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130466721
3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130467102
3-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130472470
3-[(1S)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216085
3-[(1S)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216086
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol
CID 107305669
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305740
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol
CID 107305758
2-methoxy-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]ethanamine
CID 107305939

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 166603160) is 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(N2CCC(C(F)F)CC2)n1.
What is the InChIKey of 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is VYUWOHSXBPMNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3OS/c1-17-7-4-9-14-11(18-15-9)16-5-2-8(3-6-16)10(12)13/h8,10H,2-7H2,1H3.
What are the key properties of 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 277.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethyl)piperidin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 166603160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).