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

C18H19N3OS — CID 3243408

IUPAC4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESC=CCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(C)cc1
InChIInChI=1S/C18H19N3OS/c1-3-11-21-17(20-16-5-4-10-19-12-16)23-13-18(21,22)15-8-6-14(2)7-9-15/h3-10,12,22H,1,11,13H2,2H3/b20-17-
InChIKeyWZTRFZMCHBAZNP-JZJYNLBNSA-N
MW325.44 g/mol
LogP3.46
Rot. Bonds4

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

4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (PubChem CID 3243408) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
PubChem CID3243408
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESC=CCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(C)cc1
InChIInChI=1S/C18H19N3OS/c1-3-11-21-17(20-16-5-4-10-19-12-16)23-13-18(21,22)15-8-6-14(2)7-9-15/h3-10,12,22H,1,11,13H2,2H3/b20-17-
InChIKeyWZTRFZMCHBAZNP-JZJYNLBNSA-N
XLogP3.46
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (CID 3243408) is 4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is C=CCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(C)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is WZTRFZMCHBAZNP-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-11-21-17(20-16-5-4-10-19-12-16)23-13-18(21,22)15-8-6-14(2)7-9-15/h3-10,12,22H,1,11,13H2,2H3/b20-17-.
What are the key properties of 4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 325.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 3243408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).