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

C20H23NO5S — CID 42781086

IUPAC(2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cc(OC)cc(C2SCCN2C(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C20H23NO5S/c1-23-14-10-13(11-15(12-14)24-2)20-21(8-9-27-20)19(22)18-16(25-3)6-5-7-17(18)26-4/h5-7,10-12,20H,8-9H2,1-4H3
InChIKeySZLFFVDUQLZYMI-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.61
Rot. Bonds6

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

(2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 42781086) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID42781086
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name(2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cc(OC)cc(C2SCCN2C(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C20H23NO5S/c1-23-14-10-13(11-15(12-14)24-2)20-21(8-9-27-20)19(22)18-16(25-3)6-5-7-17(18)26-4/h5-7,10-12,20H,8-9H2,1-4H3
InChIKeySZLFFVDUQLZYMI-UHFFFAOYSA-N
XLogP3.61
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethoxyphenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024103
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 1024614
[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
CID 3257752
(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025688
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
1-[(2R)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 1024512
2-chloro-1-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 42781087
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
(2S)-2-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025660
2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 42781086) is (2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is COc1cc(OC)cc(C2SCCN2C(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is SZLFFVDUQLZYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-23-14-10-13(11-15(12-14)24-2)20-21(8-9-27-20)19(22)18-16(25-3)6-5-7-17(18)26-4/h5-7,10-12,20H,8-9H2,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 389.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 42781086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).