4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole

C26H32N2O4S2 — CID 87465595

IUPAC4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3CCC(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)c(OC)c1
InChIInChI=1S/C26H32N2O4S2/c1-16-13-17(2)19(4)25(18(16)3)34(29,30)21-9-11-28(12-10-21)26-27-23(15-33-26)22-8-7-20(31-5)14-24(22)32-6/h7-8,13-15,21H,9-12H2,1-6H3
InChIKeyVZQDYYQFUXNYLZ-UHFFFAOYSA-N
MW500.69 g/mol
LogP5.50
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole

4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole (PubChem CID 87465595) has the molecular formula C26H32N2O4S2 and a molecular weight of 500.69 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
PubChem CID87465595
Molecular FormulaC26H32N2O4S2
Molecular Weight500.69 g/mol
Exact Mass500.18
IUPAC Name4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3CCC(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)c(OC)c1
InChIInChI=1S/C26H32N2O4S2/c1-16-13-17(2)19(4)25(18(16)3)34(29,30)21-9-11-28(12-10-21)26-27-23(15-33-26)22-8-7-20(31-5)14-24(22)32-6/h7-8,13-15,21H,9-12H2,1-6H3
InChIKeyVZQDYYQFUXNYLZ-UHFFFAOYSA-N
XLogP5.50
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole with MolForge

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Related Compounds

N-(4-(2,4-dimethoxyphenyl)thiazol-2-yl)-2-(phenylsulfonyl)acetamide
CID 16813579
2-[4-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]-4-(2,4-dimethoxyphenyl)-1,3-thiazole
CID 68471356
2-[4-(2,4-Difluorophenyl)sulfonylpiperidin-1-yl]-4-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 68471796
4-(2,4-Dimethoxyphenyl)-2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 68472931
2-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2,4-dimethoxyphenyl)-1,3-thiazole
CID 68472971
4-(4-Methoxyphenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]-1,3-thiazole
CID 68473097
2-[4-(3-Fluorophenyl)sulfonylpiperidin-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 68473248
4-(2,4-Dimethoxyphenyl)-2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 68473359
4-(2,4-Dimethoxyphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 68473571
2-[4-(2,4-Difluorophenyl)sulfonylpiperidin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 68473638
4-(3,5-Difluorophenyl)-2-[4-(2,4-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 68474206
2-[4-(5-Fluoro-2-methylphenyl)sulfonylpiperidin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 68474550

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole (CID 87465595) is 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole is COc1ccc(-c2csc(N3CCC(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
The InChIKey is VZQDYYQFUXNYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S2/c1-16-13-17(2)19(4)25(18(16)3)34(29,30)21-9-11-28(12-10-21)26-27-23(15-33-26)22-8-7-20(31-5)14-24(22)32-6/h7-8,13-15,21H,9-12H2,1-6H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole has a molecular weight of 500.69 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 87465595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).