ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate

C21H22N4O2S — CID 7661905

IUPACethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N/Nc1ccc(C)cc1)c1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C21H22N4O2S/c1-4-27-20(26)19(25-24-17-11-7-15(3)8-12-17)18-13-28-21(23-18)22-16-9-5-14(2)6-10-16/h5-13,24H,4H2,1-3H3,(H,22,23)/b25-19+
InChIKeyZJWNEUZMTPQIAJ-NCELDCMTSA-N
MW394.50 g/mol
LogP4.88
Rot. Bonds7

About ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate

ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate (PubChem CID 7661905) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate
PubChem CID7661905
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Nameethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N/Nc1ccc(C)cc1)c1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C21H22N4O2S/c1-4-27-20(26)19(25-24-17-11-7-15(3)8-12-17)18-13-28-21(23-18)22-16-9-5-14(2)6-10-16/h5-13,24H,4H2,1-3H3,(H,22,23)/b25-19+
InChIKeyZJWNEUZMTPQIAJ-NCELDCMTSA-N
XLogP4.88
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate 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

ethyl (2E)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(2-nitrophenyl)hydrazinylidene]acetate
CID 6534008
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate
CID 102346634
N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954928
ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
CID 71428518
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methylanilino)-1,3-thiazole-4-carboxylate
CID 3554238

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate (CID 7661905) is ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate is CCOC(=O)/C(=N/Nc1ccc(C)cc1)c1csc(Nc2ccc(C)cc2)n1.
What is the InChIKey of ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate?
The InChIKey is ZJWNEUZMTPQIAJ-NCELDCMTSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-4-27-20(26)19(25-24-17-11-7-15(3)8-12-17)18-13-28-21(23-18)22-16-9-5-14(2)6-10-16/h5-13,24H,4H2,1-3H3,(H,22,23)/b25-19+.
What are the key properties of ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate?
ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate has a molecular weight of 394.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 7661905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).