(5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

C19H17ClN2OS — CID 46237047

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17ClN2OS/c1-13(2)21-19-22(15-9-4-3-5-10-15)18(23)17(24-19)12-14-8-6-7-11-16(14)20/h3-13H,1-2H3/b17-12-,21-19-
InChIKeyWAFGAPPGSAFJJJ-WJCPARMISA-N
MW356.88 g/mol
LogP5.23
Rot. Bonds3

About (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 46237047) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID46237047
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17ClN2OS/c1-13(2)21-19-22(15-9-4-3-5-10-15)18(23)17(24-19)12-14-8-6-7-11-16(14)20/h3-13H,1-2H3/b17-12-,21-19-
InChIKeyWAFGAPPGSAFJJJ-WJCPARMISA-N
XLogP5.23
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.23
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-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 46237047) is (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is CC(C)/N=C1\S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is WAFGAPPGSAFJJJ-WJCPARMISA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-13(2)21-19-22(15-9-4-3-5-10-15)18(23)17(24-19)12-14-8-6-7-11-16(14)20/h3-13H,1-2H3/b17-12-,21-19-.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 356.88 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 46237047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).