2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole

C44H46Cl4N6O5S4 — CID 87552196

IUPAC2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole
SMILESCOc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)c1.Cc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)c1
InChIInChI=1S/C22H23Cl2N3O3S2.C22H23Cl2N3O2S2/c1-15-10-21(20(24)13-19(15)23)32(28,29)27-8-6-26(7-9-27)22-25-17(14-31-22)11-16-4-3-5-18(12-16)30-2;1-15-4-3-5-17(10-15)12-18-14-30-22(25-18)26-6-8-27(9-7-26)31(28,29)21-11-16(2)19(23)13-20(21)24/h3-5,10,12-14H,6-9,11H2,1-2H3;3-5,10-11,13-14H,6-9,12H2,1-2H3
InChIKeyARYPABWJNQRZHI-UHFFFAOYSA-N
MW1008.97 g/mol
LogP10.04
Rot. Bonds11

About 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole

2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole (PubChem CID 87552196) has the molecular formula C44H46Cl4N6O5S4 and a molecular weight of 1008.97 g/mol. Its IUPAC name is 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole
PubChem CID87552196
Molecular FormulaC44H46Cl4N6O5S4
Molecular Weight1008.97 g/mol
Exact Mass1006.12
IUPAC Name2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole
SMILESCOc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)c1.Cc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)c1
InChIInChI=1S/C22H23Cl2N3O3S2.C22H23Cl2N3O2S2/c1-15-10-21(20(24)13-19(15)23)32(28,29)27-8-6-26(7-9-27)22-25-17(14-31-22)11-16-4-3-5-18(12-16)30-2;1-15-4-3-5-17(10-15)12-18-14-30-22(25-18)26-6-8-27(9-7-26)31(28,29)21-11-16(2)19(23)13-20(21)24/h3-5,10,12-14H,6-9,11H2,1-2H3;3-5,10-11,13-14H,6-9,12H2,1-2H3
InChIKeyARYPABWJNQRZHI-UHFFFAOYSA-N
XLogP10.04
TPSA116.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.97
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole with MolForge

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Related Compounds

4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87465321
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
4-[(4-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(4-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 161031178
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole
CID 161491980
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
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-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole;2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
CID 68729592
3-[(3-methoxyphenyl)methyl]-5-(4-naphthalen-1-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
CID 4174135
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-[(4-ethoxyphenyl)methyl]-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-[(4-ethylphenyl)methyl]-1,3-thiazole
CID 87551181
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-[(2,5-dimethoxyphenyl)methyl]-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87552136

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole (CID 87552196) is 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole is COc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)c1.Cc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)c1.
What is the InChIKey of 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole?
The InChIKey is ARYPABWJNQRZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3S2.C22H23Cl2N3O2S2/c1-15-10-21(20(24)13-19(15)23)32(28,29)27-8-6-26(7-9-27)22-25-17(14-31-22)11-16-4-3-5-18(12-16)30-2;1-15-4-3-5-17(10-15)12-18-14-30-22(25-18)26-6-8-27(9-7-26)31(28,29)21-11-16(2)19(23)13-20(21)24/h3-5,10,12-14H,6-9,11H2,1-2H3;3-5,10-11,13-14H,6-9,12H2,1-2H3.
What are the key properties of 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole?
2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole has a molecular weight of 1008.97 g/mol, XLogP of 10.04, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 87552196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).