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

C20H20F2N4S — CID 71186038

IUPAC3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
SMILESFc1ccc(CCN2CCN(c3nc(-c4cccc(F)c4)ns3)CC2)cc1
InChIInChI=1S/C20H20F2N4S/c21-17-6-4-15(5-7-17)8-9-25-10-12-26(13-11-25)20-23-19(24-27-20)16-2-1-3-18(22)14-16/h1-7,14H,8-13H2
InChIKeyOCDPBSABQZWGGD-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.85
Rot. Bonds5

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

3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 71186038) has the molecular formula C20H20F2N4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID71186038
Molecular FormulaC20H20F2N4S
Molecular Weight386.47 g/mol
Exact Mass386.14
IUPAC Name3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
SMILESFc1ccc(CCN2CCN(c3nc(-c4cccc(F)c4)ns3)CC2)cc1
InChIInChI=1S/C20H20F2N4S/c21-17-6-4-15(5-7-17)8-9-25-10-12-26(13-11-25)20-23-19(24-27-20)16-2-1-3-18(22)14-16/h1-7,14H,8-13H2
InChIKeyOCDPBSABQZWGGD-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole (CID 71186038) is 3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole is Fc1ccc(CCN2CCN(c3nc(-c4cccc(F)c4)ns3)CC2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is OCDPBSABQZWGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4S/c21-17-6-4-15(5-7-17)8-9-25-10-12-26(13-11-25)20-23-19(24-27-20)16-2-1-3-18(22)14-16/h1-7,14H,8-13H2.
What are the key properties of 3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole?
3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 386.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 71186038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).