[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C28H36N2O8S — CID 42748782

IUPAC[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCOc1ccc(C2SCC(C(=O)N3CC(C)OC(C)C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C28H36N2O8S/c1-16-13-29(14-17(2)38-16)27(32)20-15-39-28(18-8-9-21(33-3)22(10-18)34-4)30(20)26(31)19-11-23(35-5)25(37-7)24(12-19)36-6/h8-12,16-17,20,28H,13-15H2,1-7H3
InChIKeyQRSAXONGZCJFLG-UHFFFAOYSA-N
MW560.67 g/mol
LogP3.62
Rot. Bonds8

About [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 42748782) has the molecular formula C28H36N2O8S and a molecular weight of 560.67 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID42748782
Molecular FormulaC28H36N2O8S
Molecular Weight560.67 g/mol
Exact Mass560.22
IUPAC Name[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCOc1ccc(C2SCC(C(=O)N3CC(C)OC(C)C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C28H36N2O8S/c1-16-13-29(14-17(2)38-16)27(32)20-15-39-28(18-8-9-21(33-3)22(10-18)34-4)30(20)26(31)19-11-23(35-5)25(37-7)24(12-19)36-6/h8-12,16-17,20,28H,13-15H2,1-7H3
InChIKeyQRSAXONGZCJFLG-UHFFFAOYSA-N
XLogP3.62
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.67
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 42748769
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748773
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4530085
(2S,4S)-3-acetyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7231223
N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749363
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
N-butyl-2-(4-tert-butylphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749107
N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749372
2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728562
2-(4-tert-butylphenyl)-N-(2-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3988039
(2S,4S)-2-(3,4-dimethoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7226475

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 42748782) is [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is COc1ccc(C2SCC(C(=O)N3CC(C)OC(C)C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is QRSAXONGZCJFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O8S/c1-16-13-29(14-17(2)38-16)27(32)20-15-39-28(18-8-9-21(33-3)22(10-18)34-4)30(20)26(31)19-11-23(35-5)25(37-7)24(12-19)36-6/h8-12,16-17,20,28H,13-15H2,1-7H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 560.67 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 42748782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).