(4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone

C84H84Cl2F2N16O4S4 — CID 173142961

IUPAC(4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccc(Cc2nsc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1.Cc1ccc(Cc2nsc(N3CCN(C(=O)c4cccc(F)c4)C(C)C3)n2)cc1.Cc1ccc(Cc2nsc(N3CCN(C(=O)c4ccccc4)CC3)n2)cc1.O=C(c1cccc(F)c1)N1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1
InChIInChI=1S/C22H23FN4OS.C21H21ClN4OS.C21H22N4OS.C20H18ClFN4OS/c1-15-6-8-17(9-7-15)12-20-24-22(29-25-20)26-10-11-27(16(2)14-26)21(28)18-4-3-5-19(23)13-18;1-15-2-4-16(5-3-15)14-19-23-21(28-24-19)26-12-10-25(11-13-26)20(27)17-6-8-18(22)9-7-17;1-16-7-9-17(10-8-16)15-19-22-21(27-23-19)25-13-11-24(12-14-25)20(26)18-5-3-2-4-6-18;21-16-6-4-14(5-7-16)12-18-23-20(28-24-18)26-10-8-25(9-11-26)19(27)15-2-1-3-17(22)13-15/h3-9,13,16H,10-12,14H2,1-2H3;2-9H,10-14H2,1H3;2-10H,11-15H2,1H3;1-7,13H,8-12H2
InChIKeySFKOCKJTVJVAGW-UHFFFAOYSA-N
MW1618.87 g/mol
LogP15.26
Rot. Bonds16

About (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone

(4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 173142961) has the molecular formula C84H84Cl2F2N16O4S4 and a molecular weight of 1618.87 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone
PubChem CID173142961
Molecular FormulaC84H84Cl2F2N16O4S4
Molecular Weight1618.87 g/mol
Exact Mass1616.51
IUPAC Name(4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccc(Cc2nsc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1.Cc1ccc(Cc2nsc(N3CCN(C(=O)c4cccc(F)c4)C(C)C3)n2)cc1.Cc1ccc(Cc2nsc(N3CCN(C(=O)c4ccccc4)CC3)n2)cc1.O=C(c1cccc(F)c1)N1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1
InChIInChI=1S/C22H23FN4OS.C21H21ClN4OS.C21H22N4OS.C20H18ClFN4OS/c1-15-6-8-17(9-7-15)12-20-24-22(29-25-20)26-10-11-27(16(2)14-26)21(28)18-4-3-5-19(23)13-18;1-15-2-4-16(5-3-15)14-19-23-21(28-24-19)26-12-10-25(11-13-26)20(27)17-6-8-18(22)9-7-17;1-16-7-9-17(10-8-16)15-19-22-21(27-23-19)25-13-11-24(12-14-25)20(26)18-5-3-2-4-6-18;21-16-6-4-14(5-7-16)12-18-23-20(28-24-18)26-10-8-25(9-11-26)19(27)15-2-1-3-17(22)13-15/h3-9,13,16H,10-12,14H2,1-2H3;2-9H,10-14H2,1H3;2-10H,11-15H2,1H3;1-7,13H,8-12H2
InChIKeySFKOCKJTVJVAGW-UHFFFAOYSA-N
XLogP15.26
TPSA197.32 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001618.87
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 3693329
[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 3476062
(3-fluorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 3896107
1,3-benzodioxol-5-yl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]methanone;(3-fluorophenyl)-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]methanone
CID 161369297
(4-butoxyphenyl)-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]methanone
CID 42664810
(3-bromophenyl)-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 3944414
(2-fluorophenyl)-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]methanone
CID 3884487
[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3612300
(2-bromophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 3922734
N-(2-fluorophenyl)-2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 4662018
N-benzyl-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazine-1-carboxamide
CID 3416480
1,3-benzodioxol-5-yl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]methanone;(2-chloro-4-nitrophenyl)-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]methanone;(2-fluorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;(4-hexylphenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 173142962

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone (CID 173142961) is (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone is Cc1ccc(Cc2nsc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1.Cc1ccc(Cc2nsc(N3CCN(C(=O)c4cccc(F)c4)C(C)C3)n2)cc1.Cc1ccc(Cc2nsc(N3CCN(C(=O)c4ccccc4)CC3)n2)cc1.O=C(c1cccc(F)c1)N1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is SFKOCKJTVJVAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS.C21H21ClN4OS.C21H22N4OS.C20H18ClFN4OS/c1-15-6-8-17(9-7-15)12-20-24-22(29-25-20)26-10-11-27(16(2)14-26)21(28)18-4-3-5-19(23)13-18;1-15-2-4-16(5-3-15)14-19-23-21(28-24-19)26-12-10-25(11-13-26)20(27)17-6-8-18(22)9-7-17;1-16-7-9-17(10-8-16)15-19-22-21(27-23-19)25-13-11-24(12-14-25)20(26)18-5-3-2-4-6-18;21-16-6-4-14(5-7-16)12-18-23-20(28-24-18)26-10-8-25(9-11-26)19(27)15-2-1-3-17(22)13-15/h3-9,13,16H,10-12,14H2,1-2H3;2-9H,10-14H2,1H3;2-10H,11-15H2,1H3;1-7,13H,8-12H2.
What are the key properties of (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone?
(4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 1618.87 g/mol, XLogP of 15.26, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone;[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 173142961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).