4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol

C21H23N3O4S — CID 135691233

IUPAC4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCCn1c(-c2cc(OC)ccc2OC)cs/c1=N\N=C\c1ccc(O)c(OC)c1
InChIInChI=1S/C21H23N3O4S/c1-5-24-17(16-11-15(26-2)7-9-19(16)27-3)13-29-21(24)23-22-12-14-6-8-18(25)20(10-14)28-4/h6-13,25H,5H2,1-4H3/b22-12+,23-21-
InChIKeyXONFKQMVEQHGLI-FNUFSRGGSA-N
MW413.50 g/mol
LogP3.90
Rot. Bonds7

About 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol

4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 135691233) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID135691233
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCCn1c(-c2cc(OC)ccc2OC)cs/c1=N\N=C\c1ccc(O)c(OC)c1
InChIInChI=1S/C21H23N3O4S/c1-5-24-17(16-11-15(26-2)7-9-19(16)27-3)13-29-21(24)23-22-12-14-6-8-18(25)20(10-14)28-4/h6-13,25H,5H2,1-4H3/b22-12+,23-21-
InChIKeyXONFKQMVEQHGLI-FNUFSRGGSA-N
XLogP3.90
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol (CID 135691233) is 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol is CCn1c(-c2cc(OC)ccc2OC)cs/c1=N\N=C\c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is XONFKQMVEQHGLI-FNUFSRGGSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-5-24-17(16-11-15(26-2)7-9-19(16)27-3)13-29-21(24)23-22-12-14-6-8-18(25)20(10-14)28-4/h6-13,25H,5H2,1-4H3/b22-12+,23-21-.
What are the key properties of 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 413.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(Z)-[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 135691233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).