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

C19H19Cl2N5S — CID 71186524

IUPAC5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole
SMILESClc1ccc(CCN2CCN(c3nc(-c4cc(Cl)ccn4)ns3)CC2)cc1
InChIInChI=1S/C19H19Cl2N5S/c20-15-3-1-14(2-4-15)6-8-25-9-11-26(12-10-25)19-23-18(24-27-19)17-13-16(21)5-7-22-17/h1-5,7,13H,6,8-12H2
InChIKeyXGMDSLKBKRSWMW-UHFFFAOYSA-N
MW420.37 g/mol
LogP4.27
Rot. Bonds5

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

5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole (PubChem CID 71186524) has the molecular formula C19H19Cl2N5S and a molecular weight of 420.37 g/mol. Its IUPAC name is 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole
PubChem CID71186524
Molecular FormulaC19H19Cl2N5S
Molecular Weight420.37 g/mol
Exact Mass419.07
IUPAC Name5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole
SMILESClc1ccc(CCN2CCN(c3nc(-c4cc(Cl)ccn4)ns3)CC2)cc1
InChIInChI=1S/C19H19Cl2N5S/c20-15-3-1-14(2-4-15)6-8-25-9-11-26(12-10-25)19-23-18(24-27-19)17-13-16(21)5-7-22-17/h1-5,7,13H,6,8-12H2
InChIKeyXGMDSLKBKRSWMW-UHFFFAOYSA-N
XLogP4.27
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 71258680
3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71187229
2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1,3-benzothiazole
CID 11725902
3-(4-methylphenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71204247
4-[5-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazol-3-yl]benzonitrile
CID 71186399
3-(4-chloro-2-pyridinyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethenyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 175281512
5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-piperidin-1-yl-1,2,4-thiadiazole;5-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-3-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 71259529
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
3-(3-fluorophenyl)-5-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 71186510
5-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole
CID 71186255
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole (CID 71186524) is 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole is Clc1ccc(CCN2CCN(c3nc(-c4cc(Cl)ccn4)ns3)CC2)cc1.
What is the InChIKey of 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole?
The InChIKey is XGMDSLKBKRSWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5S/c20-15-3-1-14(2-4-15)6-8-25-9-11-26(12-10-25)19-23-18(24-27-19)17-13-16(21)5-7-22-17/h1-5,7,13H,6,8-12H2.
What are the key properties of 5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole?
5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole has a molecular weight of 420.37 g/mol, XLogP of 4.27, 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-chloro-2-pyridinyl)-1,2,4-thiadiazole is sourced from PubChem (CID 71186524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).