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

C15H15ClN2OS — CID 136857975

IUPAC(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/C2CCCC2)S/C1=C/c1ccccc1Cl
InChIInChI=1S/C15H15ClN2OS/c16-12-8-4-1-5-10(12)9-13-14(19)18-15(20-13)17-11-6-2-3-7-11/h1,4-5,8-9,11H,2-3,6-7H2,(H,17,18,19)/b13-9+
InChIKeyBKHGKFXKIYBCSM-UKTHLTGXSA-N
MW306.82 g/mol
LogP3.84
Rot. Bonds2

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

(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one (PubChem CID 136857975) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
PubChem CID136857975
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/C2CCCC2)S/C1=C/c1ccccc1Cl
InChIInChI=1S/C15H15ClN2OS/c16-12-8-4-1-5-10(12)9-13-14(19)18-15(20-13)17-11-6-2-3-7-11/h1,4-5,8-9,11H,2-3,6-7H2,(H,17,18,19)/b13-9+
InChIKeyBKHGKFXKIYBCSM-UKTHLTGXSA-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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Related Compounds

(5E)-5-[(2-chlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137223035
(5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135753614
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
(2Z,5Z)-5-[(2-chlorophenyl)methylidene]-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887753
2-[2-[(E)-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
CID 136823782
(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136676797
(5Z)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135922813
(5Z)-2-cyclohexylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135889358
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
(5Z)-5-[(2-chlorophenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135602956
(5Z)-5-[(2-chlorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135426206

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one (CID 136857975) is (5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccccc1Cl.
What is the InChIKey of (5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one?
The InChIKey is BKHGKFXKIYBCSM-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-12-8-4-1-5-10(12)9-13-14(19)18-15(20-13)17-11-6-2-3-7-11/h1,4-5,8-9,11H,2-3,6-7H2,(H,17,18,19)/b13-9+.
What are the key properties of (5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one?
(5E)-5-[(2-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 (5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136857975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).