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

C16H18N2OS — CID 136676797

IUPAC(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)c1
InChIInChI=1S/C16H18N2OS/c1-11-5-4-6-12(9-11)10-14-15(19)18-16(20-14)17-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18,19)/b14-10+
InChIKeyDMJIDGAZYNMIQY-GXDHUFHOSA-N
MW286.40 g/mol
LogP3.50
Rot. Bonds2

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

(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 136676797) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID136676797
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)c1
InChIInChI=1S/C16H18N2OS/c1-11-5-4-6-12(9-11)10-14-15(19)18-16(20-14)17-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18,19)/b14-10+
InChIKeyDMJIDGAZYNMIQY-GXDHUFHOSA-N
XLogP3.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.50
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

(5Z)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135922813
(5Z)-2-cyclohexylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135490221
(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
(5E)-2-cyclopentylimino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136759026
(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
CID 136857975
N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
CID 136857974
(5Z)-2-cyclohexylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135889358
methyl 4-[(Z)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135901065
(5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 136857990
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
4-[(Z)-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135811297

Frequently Asked Questions

What is the IUPAC name of (5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 136676797) is (5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1cccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)c1.
What is the InChIKey of (5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DMJIDGAZYNMIQY-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-5-4-6-12(9-11)10-14-15(19)18-16(20-14)17-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18,19)/b14-10+.
What are the key properties of (5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 286.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136676797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).