(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one

C19H19N3O2S — CID 5350597

IUPAC(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1OC
InChIInChI=1S/C19H19N3O2S/c1-21(2)14-10-8-13(9-11-14)12-17-18(23)22(19(20)25-17)15-6-4-5-7-16(15)24-3/h4-12,20H,1-3H3/b17-12+,20-19-
InChIKeyPHODNEQLGQTFOL-QHHAONBESA-N
MW353.45 g/mol
LogP3.82
Rot. Bonds4

About (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one

(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 5350597) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID5350597
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1OC
InChIInChI=1S/C19H19N3O2S/c1-21(2)14-10-8-13(9-11-14)12-17-18(23)22(19(20)25-17)15-6-4-5-7-16(15)24-3/h4-12,20H,1-3H3/b17-12+,20-19-
InChIKeyPHODNEQLGQTFOL-QHHAONBESA-N
XLogP3.82
TPSA56.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-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

5-(4-Methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135478023
(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16193804
3-(4-Fluorophenyl)-2-imino-5-(4-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 1361026
(5E)-2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5291925
(2E,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1809763
5-[[4-[(2-Fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1202678
2-Imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 1256574
(5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1826456
5-[[4-(Dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3761879
2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide
CID 4535213
(Z,Z)-2-Isopropylimino-5-(4-methoxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236811
(Z,Z)-2-Isopropylimino-5-(3-methoxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236932

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (CID 5350597) is (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1OC.
What is the InChIKey of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is PHODNEQLGQTFOL-QHHAONBESA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-21(2)14-10-8-13(9-11-14)12-17-18(23)22(19(20)25-17)15-6-4-5-7-16(15)24-3/h4-12,20H,1-3H3/b17-12+,20-19-.
What are the key properties of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 353.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5350597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).