ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate

C19H15Cl2N5O3S — CID 135909767

IUPACethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N/Nc1ccc(Cl)cc1)c1nc(O)c(/N=N/c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H15Cl2N5O3S/c1-2-29-19(28)15(25-23-13-7-3-11(20)4-8-13)17-22-16(27)18(30-17)26-24-14-9-5-12(21)6-10-14/h3-10,23,27H,2H2,1H3/b25-15+,26-24+
InChIKeyDFSVAXWKFKMIHO-JZQXFWJQSA-N
MW464.33 g/mol
LogP5.95
Rot. Bonds7

About ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate

ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate (PubChem CID 135909767) has the molecular formula C19H15Cl2N5O3S and a molecular weight of 464.33 g/mol. Its IUPAC name is ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate
PubChem CID135909767
Molecular FormulaC19H15Cl2N5O3S
Molecular Weight464.33 g/mol
Exact Mass463.03
IUPAC Nameethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N/Nc1ccc(Cl)cc1)c1nc(O)c(/N=N/c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H15Cl2N5O3S/c1-2-29-19(28)15(25-23-13-7-3-11(20)4-8-13)17-22-16(27)18(30-17)26-24-14-9-5-12(21)6-10-14/h3-10,23,27H,2H2,1H3/b25-15+,26-24+
InChIKeyDFSVAXWKFKMIHO-JZQXFWJQSA-N
XLogP5.95
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.33
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
ethyl (Z)-4-chloro-2-[(4-chlorophenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135583221
(2E)-N-(4-chloroanilino)-4-methyl-5-phenyldiazenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 135482844
ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 7661905
ethyl 5-[(Z)-N-(4-bromoanilino)-C-ethoxycarbonylcarbonimidoyl]-3-methyl-1,2-oxazole-4-carboxylate
CID 177429263
ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
CID 172554704
ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
ethyl (4Z)-4-[(4-chlorophenyl)hydrazinylidene]-4-nitro-3-phenylbutanoate
CID 11257368
ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3,7-dimethyloct-6-enoate
CID 177442913
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate (CID 135909767) is ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate is CCOC(=O)/C(=N/Nc1ccc(Cl)cc1)c1nc(O)c(/N=N/c2ccc(Cl)cc2)s1.
What is the InChIKey of ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The InChIKey is DFSVAXWKFKMIHO-JZQXFWJQSA-N. The full InChI is InChI=1S/C19H15Cl2N5O3S/c1-2-29-19(28)15(25-23-13-7-3-11(20)4-8-13)17-22-16(27)18(30-17)26-24-14-9-5-12(21)6-10-14/h3-10,23,27H,2H2,1H3/b25-15+,26-24+.
What are the key properties of ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate?
ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate has a molecular weight of 464.33 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[5-[(4-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(4-chlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 135909767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).