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

C20H23N3O3S — CID 5171895

IUPAC4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESC=CCN1/C(=N/Cc2cccnc2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23N3O3S/c1-4-10-23-19(22-13-15-6-5-9-21-12-15)27-14-20(23,24)16-7-8-17(25-2)18(11-16)26-3/h4-9,11-12,24H,1,10,13-14H2,2-3H3/b22-19-
InChIKeyYBWZTSWJUGVSSJ-QOCHGBHMSA-N
MW385.49 g/mol
LogP3.03
Rot. Bonds7

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

4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol (PubChem CID 5171895) 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-3-ylmethylimino)-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
PubChem CID5171895
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESC=CCN1/C(=N/Cc2cccnc2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23N3O3S/c1-4-10-23-19(22-13-15-6-5-9-21-12-15)27-14-20(23,24)16-7-8-17(25-2)18(11-16)26-3/h4-9,11-12,24H,1,10,13-14H2,2-3H3/b22-19-
InChIKeyYBWZTSWJUGVSSJ-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol (CID 5171895) is 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol is C=CCN1/C(=N/Cc2cccnc2)SCC1(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
The InChIKey is YBWZTSWJUGVSSJ-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-10-23-19(22-13-15-6-5-9-21-12-15)27-14-20(23,24)16-7-8-17(25-2)18(11-16)26-3/h4-9,11-12,24H,1,10,13-14H2,2-3H3/b22-19-.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-(pyridin-3-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-3-ylmethylimino)-1,3-thiazolidin-4-ol is sourced from PubChem (CID 5171895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).