(5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

C22H24N2OS — CID 70684318

IUPAC(5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C22H24N2OS/c1-4-17-10-12-18(13-11-17)14-20-21(25)24(15-16(2)3)22(26-20)23-19-8-6-5-7-9-19/h5-14,16H,4,15H2,1-3H3/b20-14-,23-22+
InChIKeyCFGBMYSZLFWURM-JHHKTYBCSA-N
MW364.51 g/mol
LogP5.51
Rot. Bonds5

About (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 70684318) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID70684318
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C22H24N2OS/c1-4-17-10-12-18(13-11-17)14-20-21(25)24(15-16(2)3)22(26-20)23-19-8-6-5-7-9-19/h5-14,16H,4,15H2,1-3H3/b20-14-,23-22+
InChIKeyCFGBMYSZLFWURM-JHHKTYBCSA-N
XLogP5.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 70684318) is (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is CCc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is CFGBMYSZLFWURM-JHHKTYBCSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-4-17-10-12-18(13-11-17)14-20-21(25)24(15-16(2)3)22(26-20)23-19-8-6-5-7-9-19/h5-14,16H,4,15H2,1-3H3/b20-14-,23-22+.
What are the key properties of (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 364.51 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 70684318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).