(5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione

C21H22N2O4S — CID 59738094

IUPAC(5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOCCOc1ccc(N(C)/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-22(17-8-10-18(11-9-17)27-13-12-26-2)15-19-20(24)23(21(25)28-19)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3/b19-15-
InChIKeyORLAIQNFDYTJEO-CYVLTUHYSA-N
MW398.48 g/mol
LogP3.88
Rot. Bonds8

About (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 59738094) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID59738094
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name(5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOCCOc1ccc(N(C)/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-22(17-8-10-18(11-9-17)27-13-12-26-2)15-19-20(24)23(21(25)28-19)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3/b19-15-
InChIKeyORLAIQNFDYTJEO-CYVLTUHYSA-N
XLogP3.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione 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

3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2874189
(5E)-3-[(4-methylphenyl)methyl]-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124664986
(5Z)-3-benzyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1269046
(5E)-3-benzyl-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2217499
(5E)-3-[(4-methylphenyl)methyl]-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124664987
3-[[3-benzyl-5-[(4-methoxy-N-methylanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-(ethylamino)benzonitrile
CID 73014415
(5Z)-3-benzyl-2-[2-(ethylamino)-5-propanoylphenyl]imino-5-[(4-methoxy-N-methylanilino)methylidene]-1,3-thiazolidin-4-one
CID 143187443
4-[[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 1232058
(5E)-3-benzyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124663016
(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11591091
(5E)-3-[2-(4-chlorophenoxy)ethyl]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1206945
(5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one
CID 141134758

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione (CID 59738094) is (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione is COCCOc1ccc(N(C)/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ORLAIQNFDYTJEO-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-22(17-8-10-18(11-9-17)27-13-12-26-2)15-19-20(24)23(21(25)28-19)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3/b19-15-.
What are the key properties of (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 398.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[[4-(2-methoxyethoxy)-N-methylanilino]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59738094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).