(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C22H23N3OS — CID 18842436

IUPAC(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/C=C1\S/C(=N/c2ccccn2)N(C2CCCCC2)C1=O
InChIInChI=1S/C22H23N3OS/c1-16-9-5-6-10-17(16)15-19-21(26)25(18-11-3-2-4-12-18)22(27-19)24-20-13-7-8-14-23-20/h5-10,13-15,18H,2-4,11-12H2,1H3/b19-15-,24-22+
InChIKeyZNXLEHZFXMWKNY-HVYSLKEZSA-N
MW377.51 g/mol
LogP5.33
Rot. Bonds3

About (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842436) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18842436
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/C=C1\S/C(=N/c2ccccn2)N(C2CCCCC2)C1=O
InChIInChI=1S/C22H23N3OS/c1-16-9-5-6-10-17(16)15-19-21(26)25(18-11-3-2-4-12-18)22(27-19)24-20-13-7-8-14-23-20/h5-10,13-15,18H,2-4,11-12H2,1H3/b19-15-,24-22+
InChIKeyZNXLEHZFXMWKNY-HVYSLKEZSA-N
XLogP5.33
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18842436) is (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is Cc1ccccc1/C=C1\S/C(=N/c2ccccn2)N(C2CCCCC2)C1=O.
What is the InChIKey of (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is ZNXLEHZFXMWKNY-HVYSLKEZSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-16-9-5-6-10-17(16)15-19-21(26)25(18-11-3-2-4-12-18)22(27-19)24-20-13-7-8-14-23-20/h5-10,13-15,18H,2-4,11-12H2,1H3/b19-15-,24-22+.
What are the key properties of (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 377.51 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).