2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

C26H23N3O3S — CID 38858056

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C26H23N3O3S/c30-24(16-21-18-33-26(27-21)15-19-9-3-1-4-10-19)28-29-25(31)17-32-23-14-8-7-13-22(23)20-11-5-2-6-12-20/h1-14,18H,15-17H2,(H,28,30)(H,29,31)
InChIKeyQMRAHMSHNBSMGV-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.17
Rot. Bonds8

About 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (PubChem CID 38858056) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
PubChem CID38858056
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C26H23N3O3S/c30-24(16-21-18-33-26(27-21)15-19-9-3-1-4-10-19)28-29-25(31)17-32-23-14-8-7-13-22(23)20-11-5-2-6-12-20/h1-14,18H,15-17H2,(H,28,30)(H,29,31)
InChIKeyQMRAHMSHNBSMGV-UHFFFAOYSA-N
XLogP4.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
N'-[2-(2-phenylphenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
CID 7978348
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 78869634
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 86991374
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
4-[[4-(2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 58127521

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (CID 38858056) is 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The InChIKey is QMRAHMSHNBSMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c30-24(16-21-18-33-26(27-21)15-19-9-3-1-4-10-19)28-29-25(31)17-32-23-14-8-7-13-22(23)20-11-5-2-6-12-20/h1-14,18H,15-17H2,(H,28,30)(H,29,31).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide has a molecular weight of 457.56 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 38858056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).