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

C19H23N3O3S — CID 4649075

IUPAC4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESCCN1/C(=N/Cc2cccnc2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23N3O3S/c1-4-22-18(21-12-14-6-5-9-20-11-14)26-13-19(22,23)15-7-8-16(24-2)17(10-15)25-3/h5-11,23H,4,12-13H2,1-3H3/b21-18-
InChIKeyQNBSMXHMQJHUEB-UZYVYHOESA-N
MW373.48 g/mol
LogP2.87
Rot. Bonds6

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

4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol (PubChem CID 4649075) 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-3-ylmethylimino)-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
PubChem CID4649075
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESCCN1/C(=N/Cc2cccnc2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23N3O3S/c1-4-22-18(21-12-14-6-5-9-20-11-14)26-13-19(22,23)15-7-8-16(24-2)17(10-15)25-3/h5-11,23H,4,12-13H2,1-3H3/b21-18-
InChIKeyQNBSMXHMQJHUEB-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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Related Compounds

3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
CID 3395003
1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
CID 111023354
1-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)guanidine
CID 111023378
2,2-bis(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)cyclopropane-1-carboxamide
CID 23051246
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507
2-(3,4-dimethoxyphenyl)-1-[(5S)-5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl]ethanone
CID 1253171
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 110087625
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111203082
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 19167941

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol (CID 4649075) is 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol is CCN1/C(=N/Cc2cccnc2)SCC1(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
The InChIKey is QNBSMXHMQJHUEB-UZYVYHOESA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-22-18(21-12-14-6-5-9-20-11-14)26-13-19(22,23)15-7-8-16(24-2)17(10-15)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-3-ylmethylimino)-1,3-thiazolidin-4-ol?
4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-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-3-ylmethylimino)-1,3-thiazolidin-4-ol is sourced from PubChem (CID 4649075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).