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

C19H17ClN4O2S — CID 6270682

IUPACethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\Nc1ccc(Cl)cc1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C19H17ClN4O2S/c1-2-26-18(25)17(24-23-15-10-8-13(20)9-11-15)16-12-27-19(22-16)21-14-6-4-3-5-7-14/h3-12,23H,2H2,1H3,(H,21,22)/b24-17-
InChIKeyAAMBFOICAXXPQH-ULJHMMPZSA-N
MW400.89 g/mol
LogP4.92
Rot. Bonds7

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

ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate (PubChem CID 6270682) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate
PubChem CID6270682
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Nameethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\Nc1ccc(Cl)cc1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C19H17ClN4O2S/c1-2-26-18(25)17(24-23-15-10-8-13(20)9-11-15)16-12-27-19(22-16)21-14-6-4-3-5-7-14/h3-12,23H,2H2,1H3,(H,21,22)/b24-17-
InChIKeyAAMBFOICAXXPQH-ULJHMMPZSA-N
XLogP4.92
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.92
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate (CID 6270682) is ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate is CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)c1csc(Nc2ccccc2)n1.
What is the InChIKey of ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The InChIKey is AAMBFOICAXXPQH-ULJHMMPZSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-2-26-18(25)17(24-23-15-10-8-13(20)9-11-15)16-12-27-19(22-16)21-14-6-4-3-5-7-14/h3-12,23H,2H2,1H3,(H,21,22)/b24-17-.
What are the key properties of ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate?
ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate has a molecular weight of 400.89 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 6270682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).