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

C19H23N3OS — CID 3395003

IUPAC3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESCCc1ccc(C2(O)CS/C(=N\Cc3cccnc3)N2CC)cc1
InChIInChI=1S/C19H23N3OS/c1-3-15-7-9-17(10-8-15)19(23)14-24-18(22(19)4-2)21-13-16-6-5-11-20-12-16/h5-12,23H,3-4,13-14H2,1-2H3/b21-18-
InChIKeyJNANEKMXJBAULU-UZYVYHOESA-N
MW341.48 g/mol
LogP3.41
Rot. Bonds5

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

3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol (PubChem CID 3395003) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
PubChem CID3395003
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
SMILESCCc1ccc(C2(O)CS/C(=N\Cc3cccnc3)N2CC)cc1
InChIInChI=1S/C19H23N3OS/c1-3-15-7-9-17(10-8-15)19(23)14-24-18(22(19)4-2)21-13-16-6-5-11-20-12-16/h5-12,23H,3-4,13-14H2,1-2H3/b21-18-
InChIKeyJNANEKMXJBAULU-UZYVYHOESA-N
XLogP3.41
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethoxyphenyl)-3-ethyl-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol
CID 4649075
3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
CID 5055418
3-ethylpyridine
CID 10823
(4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
CID 7110198
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
4-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 135934660
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 135934658
4-hydroxy-4-[(2E)-penta-2,4-dien-2-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione
CID 145001099
[5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 23962510
6-ethylazecin-3-ol
CID 89227055
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
The IUPAC name of 3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol (CID 3395003) is 3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol.
What is the SMILES notation for 3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
The canonical SMILES for 3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol is CCc1ccc(C2(O)CS/C(=N\Cc3cccnc3)N2CC)cc1.
What is the InChIKey of 3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
The InChIKey is JNANEKMXJBAULU-UZYVYHOESA-N. The full InChI is InChI=1S/C19H23N3OS/c1-3-15-7-9-17(10-8-15)19(23)14-24-18(22(19)4-2)21-13-16-6-5-11-20-12-16/h5-12,23H,3-4,13-14H2,1-2H3/b21-18-.
What are the key properties of 3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol?
3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol has a molecular weight of 341.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-ethylphenyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-4-ol is sourced from PubChem (CID 3395003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).