[2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C33H37N3O4S — CID 3987278

IUPAC[2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)N3CCOCC3)cs2)c(OC)c1
InChIInChI=1S/C33H37N3O4S/c1-38-28-14-13-27(31(21-28)39-2)22-35(23-32-34-30(24-41-32)33(37)36-17-19-40-20-18-36)16-15-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,21,24,29H,15-20,22-23H2,1-2H3
InChIKeyZZOBUYDGMDYZBE-UHFFFAOYSA-N
MW571.74 g/mol
LogP5.86
Rot. Bonds12

About [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 3987278) has the molecular formula C33H37N3O4S and a molecular weight of 571.74 g/mol. Its IUPAC name is [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID3987278
Molecular FormulaC33H37N3O4S
Molecular Weight571.74 g/mol
Exact Mass571.25
IUPAC Name[2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)N3CCOCC3)cs2)c(OC)c1
InChIInChI=1S/C33H37N3O4S/c1-38-28-14-13-27(31(21-28)39-2)22-35(23-32-34-30(24-41-32)33(37)36-17-19-40-20-18-36)16-15-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,21,24,29H,15-20,22-23H2,1-2H3
InChIKeyZZOBUYDGMDYZBE-UHFFFAOYSA-N
XLogP5.86
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.74
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 4573467
[2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42779183
1-[4-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 1032060
[2-[[1,3-benzodioxol-5-ylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]-(4-benzylpiperazin-1-yl)methanone
CID 4128002
N-benzhydryl-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4148596
[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 5092648
3-[1-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 3628052
[4-(2-chlorophenyl)piperazin-1-yl]-[2-[[(2,4-dimethoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]methanone
CID 42665353
N-butan-2-yl-2-[[(2,4-dimethoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233208
3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea
CID 1199713
[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6027284
2-[[(2,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4639428

Frequently Asked Questions

What is the IUPAC name of [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 3987278) is [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is COc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)N3CCOCC3)cs2)c(OC)c1.
What is the InChIKey of [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZZOBUYDGMDYZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O4S/c1-38-28-14-13-27(31(21-28)39-2)22-35(23-32-34-30(24-41-32)33(37)36-17-19-40-20-18-36)16-15-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,21,24,29H,15-20,22-23H2,1-2H3.
What are the key properties of [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 571.74 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3987278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).