N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide

C22H23N3O5S — CID 16592486

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)Cn1c(-c2ccc(C)cc2)csc1=O
InChIInChI=1S/C22H23N3O5S/c1-3-29-18-6-4-5-7-19(18)30-13-21(27)24-23-20(26)12-25-17(14-31-22(25)28)16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWQASQADNMGNTRY-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.51
Rot. Bonds8

About N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide (PubChem CID 16592486) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide
PubChem CID16592486
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)Cn1c(-c2ccc(C)cc2)csc1=O
InChIInChI=1S/C22H23N3O5S/c1-3-29-18-6-4-5-7-19(18)30-13-21(27)24-23-20(26)12-25-17(14-31-22(25)28)16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWQASQADNMGNTRY-UHFFFAOYSA-N
XLogP2.51
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide
CID 154805740
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 30475095
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
N'-[2-(2-ethoxyphenoxy)acetyl]-2-ethylbutanehydrazide
CID 78775327
4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
CID 17493626
2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide (CID 16592486) is N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)Cn1c(-c2ccc(C)cc2)csc1=O.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide?
The InChIKey is WQASQADNMGNTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-3-29-18-6-4-5-7-19(18)30-13-21(27)24-23-20(26)12-25-17(14-31-22(25)28)16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide has a molecular weight of 441.51 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide is sourced from PubChem (CID 16592486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).