3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

C20H21N5OS — CID 3641985

IUPAC3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESOC1(c2ccccc2)CS/C(=N\c2cccnc2)N1CCCn1ccnc1
InChIInChI=1S/C20H21N5OS/c26-20(17-6-2-1-3-7-17)15-27-19(23-18-8-4-9-21-14-18)25(20)12-5-11-24-13-10-22-16-24/h1-4,6-10,13-14,16,26H,5,11-12,15H2/b23-19-
InChIKeyFYXSUWLYOGAVBF-NMWGTECJSA-N
MW379.49 g/mol
LogP3.25
Rot. Bonds6

About 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (PubChem CID 3641985) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
PubChem CID3641985
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESOC1(c2ccccc2)CS/C(=N\c2cccnc2)N1CCCn1ccnc1
InChIInChI=1S/C20H21N5OS/c26-20(17-6-2-1-3-7-17)15-27-19(23-18-8-4-9-21-14-18)25(20)12-5-11-24-13-10-22-16-24/h1-4,6-10,13-14,16,26H,5,11-12,15H2/b23-19-
InChIKeyFYXSUWLYOGAVBF-NMWGTECJSA-N
XLogP3.25
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.25
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 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (CID 3641985) is 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is OC1(c2ccccc2)CS/C(=N\c2cccnc2)N1CCCn1ccnc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is FYXSUWLYOGAVBF-NMWGTECJSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-20(17-6-2-1-3-7-17)15-27-19(23-18-8-4-9-21-14-18)25(20)12-5-11-24-13-10-22-16-24/h1-4,6-10,13-14,16,26H,5,11-12,15H2/b23-19-.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 379.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 3641985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).