3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

C17H19N3OS — CID 5055418

IUPAC3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESCCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(C)cc1
InChIInChI=1S/C17H19N3OS/c1-3-20-16(19-15-5-4-10-18-11-15)22-12-17(20,21)14-8-6-13(2)7-9-14/h4-11,21H,3,12H2,1-2H3/b19-16-
InChIKeyTVEFZEHTZOJVAS-MNDPQUGUSA-N
MW313.43 g/mol
LogP3.29
Rot. Bonds3

About 3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (PubChem CID 5055418) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
PubChem CID5055418
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESCCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(C)cc1
InChIInChI=1S/C17H19N3OS/c1-3-20-16(19-15-5-4-10-18-11-15)22-12-17(20,21)14-8-6-13(2)7-9-14/h4-11,21H,3,12H2,1-2H3/b19-16-
InChIKeyTVEFZEHTZOJVAS-MNDPQUGUSA-N
XLogP3.29
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (CID 5055418) is 3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is CCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(C)cc1.
What is the InChIKey of 3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is TVEFZEHTZOJVAS-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-20-16(19-15-5-4-10-18-11-15)22-12-17(20,21)14-8-6-13(2)7-9-14/h4-11,21H,3,12H2,1-2H3/b19-16-.
What are the key properties of 3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 313.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-methylphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 5055418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).