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

C42H46N6O7S4 — CID 160977428

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

4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole (PubChem CID 160977428) has the molecular formula C42H46N6O7S4 and a molecular weight of 875.13 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
• PubChem CID: 160977428
• Molecular Formula: C42H46N6O7S4
• Molecular Weight: 875.13 g/mol
• Exact Mass: 874.23
• IUPAC Name: 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
• SMILES: COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccc(C)c4)cs3)CC2)cc1.COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4OC)cs3)CC2)cc1
• InChI: InChI=1S/C21H23N3O4S2.C21H23N3O3S2/c1-27-16-7-9-17(10-8-16)30(25,26)24-13-11-23(12-14-24)21-22-19(15-29-21)18-5-3-4-6-20(18)28-2;1-16-4-3-5-17(14-16)20-15-28-21(22-20)23-10-12-24(13-11-23)29(25,26)19-8-6-18(27-2)7-9-19/h3-10,15H,11-14H2,1-2H3;3-9,14-15H,10-13H2,1-2H3
• InChIKey: SZBDOZUTLXUDJZ-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 134.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.13
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole?

The IUPAC name of 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole (CID 160977428) is 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole.

What is the SMILES notation for 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole?

The canonical SMILES for 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole is COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccc(C)c4)cs3)CC2)cc1.COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4OC)cs3)CC2)cc1.

What is the InChIKey of 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole?

The InChIKey is SZBDOZUTLXUDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S2.C21H23N3O3S2/c1-27-16-7-9-17(10-8-16)30(25,26)24-13-11-23(12-14-24)21-22-19(15-29-21)18-5-3-4-6-20(18)28-2;1-16-4-3-5-17(14-16)20-15-28-21(22-20)23-10-12-24(13-11-23)29(25,26)19-8-6-18(27-2)7-9-19/h3-10,15H,11-14H2,1-2H3;3-9,14-15H,10-13H2,1-2H3.

What are the key properties of 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole?

4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole has a molecular weight of 875.13 g/mol, XLogP of 6.98, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 160977428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).