4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide

C21H21N3O3S — CID 27620637

IUPAC4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-3-27-18-9-7-15(8-10-18)20(26)24-23-19(25)12-17-13-28-21(22-17)16-6-4-5-14(2)11-16/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNGDNCZKKBAIHCW-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.52
Rot. Bonds6

About 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide

4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide (PubChem CID 27620637) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
PubChem CID27620637
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-3-27-18-9-7-15(8-10-18)20(26)24-23-19(25)12-17-13-28-21(22-17)16-6-4-5-14(2)11-16/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNGDNCZKKBAIHCW-UHFFFAOYSA-N
XLogP3.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.52
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

4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7522067
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-propan-2-yloxybenzohydrazide
CID 24514393
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide?
The IUPAC name of 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide (CID 27620637) is 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide?
The InChIKey is NGDNCZKKBAIHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-27-18-9-7-15(8-10-18)20(26)24-23-19(25)12-17-13-28-21(22-17)16-6-4-5-14(2)11-16/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide?
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide has a molecular weight of 395.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide is sourced from PubChem (CID 27620637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).