(5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one

C23H19N3O2S — CID 135467081

IUPAC(5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
SMILESCOc1ccnc2ccc(/C=C3\S/C(=N/[C@@H]4C[C@H]4c4ccccc4)NC3=O)cc12
InChIInChI=1S/C23H19N3O2S/c1-28-20-9-10-24-18-8-7-14(11-17(18)20)12-21-22(27)26-23(29-21)25-19-13-16(19)15-5-3-2-4-6-15/h2-12,16,19H,13H2,1H3,(H,25,26,27)/b21-12-/t16-,19+/m0/s1
InChIKeyFKTRUXVDKGMROD-GXOMQTSMSA-N
MW401.49 g/mol
LogP4.36
Rot. Bonds4

About (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one

(5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one (PubChem CID 135467081) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
PubChem CID135467081
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name(5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
SMILESCOc1ccnc2ccc(/C=C3\S/C(=N/[C@@H]4C[C@H]4c4ccccc4)NC3=O)cc12
InChIInChI=1S/C23H19N3O2S/c1-28-20-9-10-24-18-8-7-14(11-17(18)20)12-21-22(27)26-23(29-21)25-19-13-16(19)15-5-3-2-4-6-15/h2-12,16,19H,13H2,1H3,(H,25,26,27)/b21-12-/t16-,19+/m0/s1
InChIKeyFKTRUXVDKGMROD-GXOMQTSMSA-N
XLogP4.36
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[4-(cyclohexylmethoxy)quinolin-6-yl]methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
CID 135428028
(5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
CID 135989917
5-[(4-ethoxyquinolin-6-yl)methylidene]-2-[(1R)-2-hydroxy-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 136631016
5-[(4-ethoxyquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 76839177
tert-butyl N-[5-[[4-(2-methoxyethoxy)quinolin-6-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
CID 136647824
(5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 135489545
2-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136654984
(5Z)-5-[(4-ethoxyquinolin-6-yl)methylidene]-2-[2-(3-fluorophenyl)ethylimino]-1,3-thiazolidin-4-one
CID 135989934
N-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137124558
(5Z)-5-[[4-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211749
2-(2,6-dichlorophenyl)imino-5-[(4-phenylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136628070
N-[(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137124454

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one (CID 135467081) is (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one is COc1ccnc2ccc(/C=C3\S/C(=N/[C@@H]4C[C@H]4c4ccccc4)NC3=O)cc12.
What is the InChIKey of (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one?
The InChIKey is FKTRUXVDKGMROD-GXOMQTSMSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-28-20-9-10-24-18-8-7-14(11-17(18)20)12-21-22(27)26-23(29-21)25-19-13-16(19)15-5-3-2-4-6-15/h2-12,16,19H,13H2,1H3,(H,25,26,27)/b21-12-/t16-,19+/m0/s1.
What are the key properties of (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one has a molecular weight of 401.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135467081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).