4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole

C40H34Cl6F2N6O4S4 — CID 161115019

IUPAC4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2nc(Cc3cc(Cl)cc(Cl)c3)cs2)CC1.O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2nc(Cc3cc(F)cc(F)c3)cs2)CC1
InChIInChI=1S/C20H17Cl4N3O2S2.C20H17Cl2F2N3O2S2/c21-14-1-2-19(18(24)11-14)31(28,29)27-5-3-26(4-6-27)20-25-17(12-30-20)9-13-7-15(22)10-16(23)8-13;21-14-1-2-19(18(22)10-14)31(28,29)27-5-3-26(4-6-27)20-25-17(12-30-20)9-13-7-15(23)11-16(24)8-13/h2*1-2,7-8,10-12H,3-6,9H2
InChIKeyUKEWLOGANUSRLW-UHFFFAOYSA-N
MW1041.73 g/mol
LogP10.69
Rot. Bonds10

About 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole

4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole (PubChem CID 161115019) has the molecular formula C40H34Cl6F2N6O4S4 and a molecular weight of 1041.73 g/mol. Its IUPAC name is 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole
PubChem CID161115019
Molecular FormulaC40H34Cl6F2N6O4S4
Molecular Weight1041.73 g/mol
Exact Mass1037.96
IUPAC Name4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2nc(Cc3cc(Cl)cc(Cl)c3)cs2)CC1.O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2nc(Cc3cc(F)cc(F)c3)cs2)CC1
InChIInChI=1S/C20H17Cl4N3O2S2.C20H17Cl2F2N3O2S2/c21-14-1-2-19(18(24)11-14)31(28,29)27-5-3-26(4-6-27)20-25-17(12-30-20)9-13-7-15(22)10-16(23)8-13;21-14-1-2-19(18(22)10-14)31(28,29)27-5-3-26(4-6-27)20-25-17(12-30-20)9-13-7-15(23)11-16(24)8-13/h2*1-2,7-8,10-12H,3-6,9H2
InChIKeyUKEWLOGANUSRLW-UHFFFAOYSA-N
XLogP10.69
TPSA107.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.73
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(3,5-difluorophenyl)methyl]-2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 158506707
4-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(3-chloro-5-fluorophenyl)methyl]-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 158803514
4-[(3-chloro-5-fluorophenyl)methyl]-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87466398
2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole
CID 158339402
2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole
CID 87466651
4-[(2,4-dichlorophenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87464710
4-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 157183113
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4-difluorophenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-difluorophenyl)-1,3-thiazole
CID 87552328
4-[(3-chloro-4-fluorophenyl)methyl]-2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 87571753
4-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 158324939
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-[(4-ethoxyphenyl)methyl]-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-[(4-ethylphenyl)methyl]-1,3-thiazole
CID 87551181
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280565

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole (CID 161115019) is 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole is O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2nc(Cc3cc(Cl)cc(Cl)c3)cs2)CC1.O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2nc(Cc3cc(F)cc(F)c3)cs2)CC1.
What is the InChIKey of 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole?
The InChIKey is UKEWLOGANUSRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl4N3O2S2.C20H17Cl2F2N3O2S2/c21-14-1-2-19(18(24)11-14)31(28,29)27-5-3-26(4-6-27)20-25-17(12-30-20)9-13-7-15(22)10-16(23)8-13;21-14-1-2-19(18(22)10-14)31(28,29)27-5-3-26(4-6-27)20-25-17(12-30-20)9-13-7-15(23)11-16(24)8-13/h2*1-2,7-8,10-12H,3-6,9H2.
What are the key properties of 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole?
4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole has a molecular weight of 1041.73 g/mol, XLogP of 10.69, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 161115019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).