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

C19H23N3O3S — CID 4674922

IUPAC4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESCCN1/C(=N/Cc2ccccn2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23N3O3S/c1-4-22-18(21-12-15-7-5-6-10-20-15)26-13-19(22,23)14-8-9-16(24-2)17(11-14)25-3/h5-11,23H,4,12-13H2,1-3H3/b21-18-
InChIKeyAWDNZXGDBUAOOR-UZYVYHOESA-N
MW373.48 g/mol
LogP2.87
Rot. Bonds6

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

4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol (PubChem CID 4674922) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol
PubChem CID4674922
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESCCN1/C(=N/Cc2ccccn2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23N3O3S/c1-4-22-18(21-12-15-7-5-6-10-20-15)26-13-19(22,23)14-8-9-16(24-2)17(11-14)25-3/h5-11,23H,4,12-13H2,1-3H3/b21-18-
InChIKeyAWDNZXGDBUAOOR-UZYVYHOESA-N
XLogP2.87
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol (CID 4674922) is 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol is CCN1/C(=N/Cc2ccccn2)SCC1(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol?
The InChIKey is AWDNZXGDBUAOOR-UZYVYHOESA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-22-18(21-12-15-7-5-6-10-20-15)26-13-19(22,23)14-8-9-16(24-2)17(11-14)25-3/h5-11,23H,4,12-13H2,1-3H3/b21-18-.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol?
4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol has a molecular weight of 373.48 g/mol, XLogP of 2.87, 6 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-ethyl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-ol is sourced from PubChem (CID 4674922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).