4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole

C25H31N3O3S2 — CID 87465321

IUPAC4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESCOc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)c1
InChIInChI=1S/C25H31N3O3S2/c1-17-13-18(2)20(4)24(19(17)3)33(29,30)28-11-9-27(10-12-28)25-26-22(16-32-25)14-21-7-6-8-23(15-21)31-5/h6-8,13,15-16H,9-12,14H2,1-5H3
InChIKeyCWPQCIOIVVJXMQ-UHFFFAOYSA-N
MW485.68 g/mol
LogP4.49
Rot. Bonds6

About 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole

4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole (PubChem CID 87465321) has the molecular formula C25H31N3O3S2 and a molecular weight of 485.68 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
PubChem CID87465321
Molecular FormulaC25H31N3O3S2
Molecular Weight485.68 g/mol
Exact Mass485.18
IUPAC Name4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
SMILESCOc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)c1
InChIInChI=1S/C25H31N3O3S2/c1-17-13-18(2)20(4)24(19(17)3)33(29,30)28-11-9-27(10-12-28)25-26-22(16-32-25)14-21-7-6-8-23(15-21)31-5/h6-8,13,15-16H,9-12,14H2,1-5H3
InChIKeyCWPQCIOIVVJXMQ-UHFFFAOYSA-N
XLogP4.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.68
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-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

2-[4-(4-Fluorophenyl)sulfonyl-1-piperazinyl]-4-(3-methoxyphenyl)thiazole
CID 647832
1-[(5-Fluoro-2-methoxyphenyl)sulfonyl]-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazine
CID 16764982
4-(3-Fluorobenzyl)-2-(4-(4-methoxyphenylsulfonyl)piperazin-1-yl)thiazole
CID 25154428
2-[4-(4-Fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 25191884
2-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole
CID 59438288
4-(2,3-Dimethylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 68471953
4-[(4-Methoxyphenyl)methyl]-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 68471966
2-[4-(5-Fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 68471976
4-[(2,5-Dimethoxyphenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]-1,3-thiazole
CID 68472074
4-[(4-Ethylphenyl)methyl]-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]-1,3-thiazole
CID 68472186
2-[4-(2,6-Difluorophenyl)sulfonylpiperidin-1-yl]-4-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 68472333
4-[(3,4-Dimethylphenyl)methyl]-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 68472599

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole (CID 87465321) is 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole is COc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is CWPQCIOIVVJXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S2/c1-17-13-18(2)20(4)24(19(17)3)33(29,30)28-11-9-27(10-12-28)25-26-22(16-32-25)14-21-7-6-8-23(15-21)31-5/h6-8,13,15-16H,9-12,14H2,1-5H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole?
4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 485.68 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 87465321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).