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

C15H15ClN2OS — CID 135417131

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c16-11-7-5-10(6-8-11)9-13-14(19)18-15(20-13)17-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,17,18,19)/b13-9-
InChIKeyVWJZGZIZUNRLCR-LCYFTJDESA-N
MW306.82 g/mol
LogP3.84
Rot. Bonds2

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

(5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one (PubChem CID 135417131) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
PubChem CID135417131
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c16-11-7-5-10(6-8-11)9-13-14(19)18-15(20-13)17-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,17,18,19)/b13-9-
InChIKeyVWJZGZIZUNRLCR-LCYFTJDESA-N
XLogP3.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
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-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one (CID 135417131) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one?
The InChIKey is VWJZGZIZUNRLCR-LCYFTJDESA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-11-7-5-10(6-8-11)9-13-14(19)18-15(20-13)17-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,17,18,19)/b13-9-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one has a molecular weight of 306.82 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135417131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).