2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide

C22H23N3O3S — CID 24514098

IUPAC2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NNC(=O)COc3cccc(C)c3)s2)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-16-8-10-17(11-9-16)22-23-15(3)20(29-22)21(27)25-24-19(26)13-28-18-7-5-6-14(2)12-18/h5-12H,4,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyUPAPVJPVVOHDOH-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide

2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 24514098) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
PubChem CID24514098
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NNC(=O)COc3cccc(C)c3)s2)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-16-8-10-17(11-9-16)22-23-15(3)20(29-22)21(27)25-24-19(26)13-28-18-7-5-6-14(2)12-18/h5-12H,4,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyUPAPVJPVVOHDOH-UHFFFAOYSA-N
XLogP3.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide (CID 24514098) is 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide is CCc1ccc(-c2nc(C)c(C(=O)NNC(=O)COc3cccc(C)c3)s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is UPAPVJPVVOHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-4-16-8-10-17(11-9-16)22-23-15(3)20(29-22)21(27)25-24-19(26)13-28-18-7-5-6-14(2)12-18/h5-12H,4,13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide?
2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 409.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24514098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).