(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C21H25NO6S — CID 122330579

IUPAC(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cc1OC
InChIInChI=1S/C21H25NO6S/c1-24-15-7-6-13(10-17(15)26-3)20(23)22-8-9-29-21(22)14-11-18(27-4)19(28-5)12-16(14)25-2/h6-7,10-12,21H,8-9H2,1-5H3
InChIKeyLXQKSVZENKEIAT-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.62
Rot. Bonds7

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

(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 122330579) has the molecular formula C21H25NO6S and a molecular weight of 419.50 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID122330579
Molecular FormulaC21H25NO6S
Molecular Weight419.50 g/mol
Exact Mass419.14
IUPAC Name(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cc1OC
InChIInChI=1S/C21H25NO6S/c1-24-15-7-6-13(10-17(15)26-3)20(23)22-8-9-29-21(22)14-11-18(27-4)19(28-5)12-16(14)25-2/h6-7,10-12,21H,8-9H2,1-5H3
InChIKeyLXQKSVZENKEIAT-UHFFFAOYSA-N
XLogP3.62
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-bromophenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330950
(4-ethylphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330609
(4-butoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330603
(6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330849
[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330593
3-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 122330771
(5-bromo-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330727
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330557
2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330561
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122330377
isoquinolin-1-yl-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330792

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 122330579) is (3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is COc1ccc(C(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is LXQKSVZENKEIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6S/c1-24-15-7-6-13(10-17(15)26-3)20(23)22-8-9-29-21(22)14-11-18(27-4)19(28-5)12-16(14)25-2/h6-7,10-12,21H,8-9H2,1-5H3.
What are the key properties of (3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 419.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 122330579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).