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

C17H28FN5S — CID 62705087

IUPAC2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESFC1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1
InChIInChI=1S/C17H28FN5S/c18-14-5-4-10-23(13-14)17-20-19-16(24-17)22-11-6-15(7-12-22)21-8-2-1-3-9-21/h14-15H,1-13H2
InChIKeyUUFSQJFGDUISMZ-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.93
Rot. Bonds3

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

2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 62705087) has the molecular formula C17H28FN5S and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID62705087
Molecular FormulaC17H28FN5S
Molecular Weight353.51 g/mol
Exact Mass353.20
IUPAC Name2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESFC1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1
InChIInChI=1S/C17H28FN5S/c18-14-5-4-10-23(13-14)17-20-19-16(24-17)22-11-6-15(7-12-22)21-8-2-1-3-9-21/h14-15H,1-13H2
InChIKeyUUFSQJFGDUISMZ-UHFFFAOYSA-N
XLogP2.93
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 62705087) is 2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is FC1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is UUFSQJFGDUISMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN5S/c18-14-5-4-10-23(13-14)17-20-19-16(24-17)22-11-6-15(7-12-22)21-8-2-1-3-9-21/h14-15H,1-13H2.
What are the key properties of 2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 353.51 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 62705087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).