4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol

C20H23N3O3S — CID 5076610

IUPAC4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESC=CCN1/C(=N/Cc2ccccn2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23N3O3S/c1-4-11-23-19(22-13-16-7-5-6-10-21-16)27-14-20(23,24)15-8-9-17(25-2)18(12-15)26-3/h4-10,12,24H,1,11,13-14H2,2-3H3/b22-19-
InChIKeyXAIQVVDXXVEZGA-QOCHGBHMSA-N
MW385.49 g/mol
LogP3.03
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol

4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol (PubChem CID 5076610) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol
PubChem CID5076610
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESC=CCN1/C(=N/Cc2ccccn2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23N3O3S/c1-4-11-23-19(22-13-16-7-5-6-10-21-16)27-14-20(23,24)15-8-9-17(25-2)18(12-15)26-3/h4-10,12,24H,1,11,13-14H2,2-3H3/b22-19-
InChIKeyXAIQVVDXXVEZGA-QOCHGBHMSA-N
XLogP3.03
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 3459194
CID 3459194
CID 46944159
CID 46944159
CID 9568064
CID 9568064
CID 1260326
CID 1260326
CID 4383195
CID 4383195
CID 44667549
CID 44667549
CID 119057267
CID 119057267
CID 783638
CID 783638
CID 3929856
CID 3929856
CID 4341424
CID 4341424
CID 4376293
CID 4376293
CID 177650658
CID 177650658

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol (CID 5076610) is 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol is C=CCN1/C(=N/Cc2ccccn2)SCC1(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol?
The InChIKey is XAIQVVDXXVEZGA-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-11-23-19(22-13-16-7-5-6-10-21-16)27-14-20(23,24)15-8-9-17(25-2)18(12-15)26-3/h4-10,12,24H,1,11,13-14H2,2-3H3/b22-19-.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol?
4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol has a molecular weight of 385.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol is sourced from PubChem (CID 5076610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).