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

C10H16FN3OS — CID 172882602

IUPAC5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(F)CC2)n1
InChIInChI=1S/C10H16FN3OS/c1-15-7-4-9-12-10(16-13-9)14-5-2-8(11)3-6-14/h8H,2-7H2,1H3
InChIKeyDHLIRWDQZOZRSJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.67
Rot. Bonds4

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

5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 172882602) has the molecular formula C10H16FN3OS and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID172882602
Molecular FormulaC10H16FN3OS
Molecular Weight245.32 g/mol
Exact Mass245.10
IUPAC Name5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCC(F)CC2)n1
InChIInChI=1S/C10H16FN3OS/c1-15-7-4-9-12-10(16-13-9)14-5-2-8(11)3-6-14/h8H,2-7H2,1H3
InChIKeyDHLIRWDQZOZRSJ-UHFFFAOYSA-N
XLogP1.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-Dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 84595118
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
5-[(3S)-3-fluoropiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 129321435
3-(2-Methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133369769
3-(2-Methoxyethyl)-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133431572
1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 138041764
1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidine
CID 145914163
4,4-Difluoro-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 154582952
3-(Fluoromethyl)-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155941734

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 172882602) is 5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(N2CCC(F)CC2)n1.
What is the InChIKey of 5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is DHLIRWDQZOZRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3OS/c1-15-7-4-9-12-10(16-13-9)14-5-2-8(11)3-6-14/h8H,2-7H2,1H3.
What are the key properties of 5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 245.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropiperidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 172882602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).