N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide

C21H21N3O3S2 — CID 55536973

IUPACN'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C21H21N3O3S2/c1-2-15-7-3-5-9-18(15)27-11-20(25)23-24-21(26)17-8-4-6-10-19(17)29-13-16-12-28-14-22-16/h3-10,12,14H,2,11,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFVJVYJPZSFHOCB-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.84
Rot. Bonds8

About N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide

N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide (PubChem CID 55536973) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
PubChem CID55536973
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C21H21N3O3S2/c1-2-15-7-3-5-9-18(15)27-11-20(25)23-24-21(26)17-8-4-6-10-19(17)29-13-16-12-28-14-22-16/h3-10,12,14H,2,11,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFVJVYJPZSFHOCB-UHFFFAOYSA-N
XLogP3.84
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55555197
N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546
5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide
CID 43048855
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18155250
2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55522659
N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46548406
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18155241
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18229352
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 33236343
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55528362

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide?
The IUPAC name of N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide (CID 55536973) is N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide.
What is the SMILES notation for N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide?
The canonical SMILES for N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide is CCc1ccccc1OCC(=O)NNC(=O)c1ccccc1SCc1cscn1.
What is the InChIKey of N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide?
The InChIKey is FVJVYJPZSFHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-2-15-7-3-5-9-18(15)27-11-20(25)23-24-21(26)17-8-4-6-10-19(17)29-13-16-12-28-14-22-16/h3-10,12,14H,2,11,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide?
N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide has a molecular weight of 427.55 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide is sourced from PubChem (CID 55536973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).