3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole

C20H20F2N4S — CID 71186407

IUPAC3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(N3CCN(CCc4ccccc4)CC3)n2)cc1F
InChIInChI=1S/C20H20F2N4S/c21-17-7-6-16(14-18(17)22)19-23-20(27-24-19)26-12-10-25(11-13-26)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyXQGPNJWUCITKNY-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.85
Rot. Bonds5

About 3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole

3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 71186407) has the molecular formula C20H20F2N4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID71186407
Molecular FormulaC20H20F2N4S
Molecular Weight386.47 g/mol
Exact Mass386.14
IUPAC Name3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(N3CCN(CCc4ccccc4)CC3)n2)cc1F
InChIInChI=1S/C20H20F2N4S/c21-17-7-6-16(14-18(17)22)19-23-20(27-24-19)26-12-10-25(11-13-26)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyXQGPNJWUCITKNY-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-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 71186407) is 3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole is Fc1ccc(-c2nsc(N3CCN(CCc4ccccc4)CC3)n2)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is XQGPNJWUCITKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4S/c21-17-7-6-16(14-18(17)22)19-23-20(27-24-19)26-12-10-25(11-13-26)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2.
What are the key properties of 3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)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-(3,4-difluorophenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 71186407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).