N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide

C17H19N3O2S — CID 136857974

IUPACN-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)cc1
InChIInChI=1S/C17H19N3O2S/c1-11(21)18-14-8-6-12(7-9-14)10-15-16(22)20-17(23-15)19-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,21)(H,19,20,22)/b15-10+
InChIKeyLAHAUORNAOYWNO-XNTDXEJSSA-N
MW329.43 g/mol
LogP3.15
Rot. Bonds3

About N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide

N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide (PubChem CID 136857974) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
PubChem CID136857974
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)cc1
InChIInChI=1S/C17H19N3O2S/c1-11(21)18-14-8-6-12(7-9-14)10-15-16(22)20-17(23-15)19-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,21)(H,19,20,22)/b15-10+
InChIKeyLAHAUORNAOYWNO-XNTDXEJSSA-N
XLogP3.15
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methyl 4-[(Z)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135901065
4-[(Z)-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135811297
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
N-[4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135483146
N-[4-[(E)-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
CID 135536220
(5E)-2-cyclopentylimino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136759026
(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
2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135521007
N-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]acetamide
CID 7996424
(5Z)-2-cyclohexylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135889358

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide (CID 136857974) is N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2/S/C(=N\C3CCCC3)NC2=O)cc1.
What is the InChIKey of N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide?
The InChIKey is LAHAUORNAOYWNO-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(21)18-14-8-6-12(7-9-14)10-15-16(22)20-17(23-15)19-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,21)(H,19,20,22)/b15-10+.
What are the key properties of N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide?
N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 136857974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).