2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole

C30H36N4O5S2 — CID 142201325

IUPAC2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cc(-c2nc(CN3CCN(Cc4csc(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cs2)cc(OC)c1C
InChIInChI=1S/C30H36N4O5S2/c1-19-24(35-2)11-20(12-25(19)36-3)29-31-22(17-40-29)15-33-7-9-34(10-8-33)16-23-18-41-30(32-23)21-13-26(37-4)28(39-6)27(14-21)38-5/h11-14,17-18H,7-10,15-16H2,1-6H3
InChIKeyWJCGLWKWDRNOQR-UHFFFAOYSA-N
MW596.78 g/mol
LogP5.60
Rot. Bonds11

About 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole

2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 142201325) has the molecular formula C30H36N4O5S2 and a molecular weight of 596.78 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID142201325
Molecular FormulaC30H36N4O5S2
Molecular Weight596.78 g/mol
Exact Mass596.21
IUPAC Name2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cc(-c2nc(CN3CCN(Cc4csc(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cs2)cc(OC)c1C
InChIInChI=1S/C30H36N4O5S2/c1-19-24(35-2)11-20(12-25(19)36-3)29-31-22(17-40-29)15-33-7-9-34(10-8-33)16-23-18-41-30(32-23)21-13-26(37-4)28(39-6)27(14-21)38-5/h11-14,17-18H,7-10,15-16H2,1-6H3
InChIKeyWJCGLWKWDRNOQR-UHFFFAOYSA-N
XLogP5.60
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500596.78
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-(3,4,5-trimethoxyphenyl)-4-[3-[4-[3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]propyl]piperazin-1-yl]propyl]-1,3-thiazole
CID 10146456
2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18707228
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
1-[[5-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-3-yl]methyl]-4-[[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]methyl]-1,4-diazepane
CID 22890398
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 38470437
4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine
CID 170775558
2-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 31872902
4-(azocan-1-ylmethyl)-2-[3-(2,3,4-trimethoxyphenyl)phenyl]-1,3-thiazole
CID 46100892
3-(3,4-dimethoxyphenyl)-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55505939
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
(3-methoxy-4-methylphenyl)-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 46577232

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole (CID 142201325) is 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole is COc1cc(-c2nc(CN3CCN(Cc4csc(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cs2)cc(OC)c1C.
What is the InChIKey of 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WJCGLWKWDRNOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5S2/c1-19-24(35-2)11-20(12-25(19)36-3)29-31-22(17-40-29)15-33-7-9-34(10-8-33)16-23-18-41-30(32-23)21-13-26(37-4)28(39-6)27(14-21)38-5/h11-14,17-18H,7-10,15-16H2,1-6H3.
What are the key properties of 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole?
2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 596.78 g/mol, XLogP of 5.60, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 142201325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).