(2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide

C17H12Cl2N6O2S — CID 135698753

IUPAC(2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide
SMILESNC(=O)/C(=N\Nc1ccccc1Cl)c1nc(O)c(/N=N/c2ccccc2Cl)s1
InChIInChI=1S/C17H12Cl2N6O2S/c18-9-5-1-3-7-11(9)22-24-13(14(20)26)16-21-15(27)17(28-16)25-23-12-8-4-2-6-10(12)19/h1-8,22,27H,(H2,20,26)/b24-13+,25-23+
InChIKeyOQBSZRHYKLZBJS-OBYGDSCDSA-N
MW435.30 g/mol
LogP4.87
Rot. Bonds6

About (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide

(2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide (PubChem CID 135698753) has the molecular formula C17H12Cl2N6O2S and a molecular weight of 435.30 g/mol. Its IUPAC name is (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide.

Molecular Properties

Compound Name(2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide
PubChem CID135698753
Molecular FormulaC17H12Cl2N6O2S
Molecular Weight435.30 g/mol
Exact Mass434.01
IUPAC Name(2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide
SMILESNC(=O)/C(=N\Nc1ccccc1Cl)c1nc(O)c(/N=N/c2ccccc2Cl)s1
InChIInChI=1S/C17H12Cl2N6O2S/c18-9-5-1-3-7-11(9)22-24-13(14(20)26)16-21-15(27)17(28-16)25-23-12-8-4-2-6-10(12)19/h1-8,22,27H,(H2,20,26)/b24-13+,25-23+
InChIKeyOQBSZRHYKLZBJS-OBYGDSCDSA-N
XLogP4.87
TPSA125.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

(2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
CID 135868193
(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
CID 87583449
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
N'-(2-chloroanilino)benzenecarboximidamide
CID 134068294
N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide
CID 67958780
2-chloro-N-[(E)-1-nitroethylideneamino]aniline
CID 170698173
N-[(2-chlorophenyl)diazenyl]aniline
CID 102051457
N-(benzhydrylideneamino)-2-chloroaniline
CID 11515058
(2Z)-2-amino-N-(2-chlorophenyl)-2-[(2-cyanophenyl)hydrazinylidene]acetamide
CID 177438425
ethyl (2Z)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-[(2-chlorophenyl)hydrazinylidene]acetate
CID 6323820
4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 170555882
N-(1,3-benzothiazol-2-ylimino)-N'-(2-chloroanilino)benzenecarboximidamide
CID 5024032

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide?
The IUPAC name of (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide (CID 135698753) is (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide.
What is the SMILES notation for (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide?
The canonical SMILES for (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide is NC(=O)/C(=N\Nc1ccccc1Cl)c1nc(O)c(/N=N/c2ccccc2Cl)s1.
What is the InChIKey of (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide?
The InChIKey is OQBSZRHYKLZBJS-OBYGDSCDSA-N. The full InChI is InChI=1S/C17H12Cl2N6O2S/c18-9-5-1-3-7-11(9)22-24-13(14(20)26)16-21-15(27)17(28-16)25-23-12-8-4-2-6-10(12)19/h1-8,22,27H,(H2,20,26)/b24-13+,25-23+.
What are the key properties of (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide?
(2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide has a molecular weight of 435.30 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide is sourced from PubChem (CID 135698753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).