5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole

C19H25ClFN5S — CID 71258680

IUPAC5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole
SMILESFC1CCN(c2nsc(N3CCN(CCc4ccc(Cl)cc4)CC3)n2)CC1
InChIInChI=1S/C19H25ClFN5S/c20-16-3-1-15(2-4-16)5-8-24-11-13-26(14-12-24)19-22-18(23-27-19)25-9-6-17(21)7-10-25/h1-4,17H,5-14H2
InChIKeyRZNNFORLSHTQFB-UHFFFAOYSA-N
MW409.96 g/mol
LogP3.49
Rot. Bonds5

About 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole

5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 71258680) has the molecular formula C19H25ClFN5S and a molecular weight of 409.96 g/mol. Its IUPAC name is 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID71258680
Molecular FormulaC19H25ClFN5S
Molecular Weight409.96 g/mol
Exact Mass409.15
IUPAC Name5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole
SMILESFC1CCN(c2nsc(N3CCN(CCc4ccc(Cl)cc4)CC3)n2)CC1
InChIInChI=1S/C19H25ClFN5S/c20-16-3-1-15(2-4-16)5-8-24-11-13-26(14-12-24)19-22-18(23-27-19)25-9-6-17(21)7-10-25/h1-4,17H,5-14H2
InChIKeyRZNNFORLSHTQFB-UHFFFAOYSA-N
XLogP3.49
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole (CID 71258680) is 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole is FC1CCN(c2nsc(N3CCN(CCc4ccc(Cl)cc4)CC3)n2)CC1.
What is the InChIKey of 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is RZNNFORLSHTQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN5S/c20-16-3-1-15(2-4-16)5-8-24-11-13-26(14-12-24)19-22-18(23-27-19)25-9-6-17(21)7-10-25/h1-4,17H,5-14H2.
What are the key properties of 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole?
5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 409.96 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 71258680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).