ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate

C20H20N4O3S — CID 6270287

IUPACethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\Nc1ccc(OC)cc1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C20H20N4O3S/c1-3-27-19(25)18(24-23-15-9-11-16(26-2)12-10-15)17-13-28-20(22-17)21-14-7-5-4-6-8-14/h4-13,23H,3H2,1-2H3,(H,21,22)/b24-18-
InChIKeyBOXGEERGDBWEHW-MOHJPFBDSA-N
MW396.47 g/mol
LogP4.27
Rot. Bonds8

About ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate

ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate (PubChem CID 6270287) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate
PubChem CID6270287
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Nameethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\Nc1ccc(OC)cc1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C20H20N4O3S/c1-3-27-19(25)18(24-23-15-9-11-16(26-2)12-10-15)17-13-28-20(22-17)21-14-7-5-4-6-8-14/h4-13,23H,3H2,1-2H3,(H,21,22)/b24-18-
InChIKeyBOXGEERGDBWEHW-MOHJPFBDSA-N
XLogP4.27
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate (CID 6270287) is ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate is CCOC(=O)/C(=N\Nc1ccc(OC)cc1)c1csc(Nc2ccccc2)n1.
What is the InChIKey of ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate?
The InChIKey is BOXGEERGDBWEHW-MOHJPFBDSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-3-27-19(25)18(24-23-15-9-11-16(26-2)12-10-15)17-13-28-20(22-17)21-14-7-5-4-6-8-14/h4-13,23H,3H2,1-2H3,(H,21,22)/b24-18-.
What are the key properties of ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate?
ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate has a molecular weight of 396.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 6270287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).