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

C21H21N3O3S — CID 38710487

IUPACN'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-2-27-18-10-8-16(9-11-18)21(26)24-23-19(25)13-17-14-28-20(22-17)12-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyIQRHHDRLUGTOFO-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.14
Rot. Bonds7

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

N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide (PubChem CID 38710487) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
PubChem CID38710487
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-2-27-18-10-8-16(9-11-18)21(26)24-23-19(25)13-17-14-28-20(22-17)12-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyIQRHHDRLUGTOFO-UHFFFAOYSA-N
XLogP3.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.14
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-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512
2-benzyl-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187389
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 38858056
(E)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxyphenyl)-2-phenylprop-2-enamide
CID 108760549
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119666140
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 38700582
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
CID 51124164
ethyl 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-phenylpropanoate
CID 48588024

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide (CID 38710487) is N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)cc1.
What is the InChIKey of N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide?
The InChIKey is IQRHHDRLUGTOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-27-18-10-8-16(9-11-18)21(26)24-23-19(25)13-17-14-28-20(22-17)12-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide?
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide has a molecular weight of 395.48 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide is sourced from PubChem (CID 38710487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).