N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide

C23H25N3O3S — CID 35001469

IUPACN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H25N3O3S/c1-15(2)19-10-9-16(3)11-20(19)29-13-22(28)26-25-21(27)12-18-14-30-23(24-18)17-7-5-4-6-8-17/h4-11,14-15H,12-13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyYJPAEKJNCUJHEP-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.01
Rot. Bonds7

About N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide

N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 35001469) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID35001469
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H25N3O3S/c1-15(2)19-10-9-16(3)11-20(19)29-13-22(28)26-25-21(27)12-18-14-30-23(24-18)17-7-5-4-6-8-17/h4-11,14-15H,12-13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyYJPAEKJNCUJHEP-UHFFFAOYSA-N
XLogP4.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.01
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

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 27568985
2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 2434922
2-(2-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001550
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19178430
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
2-(3-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001950
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
(2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35342116
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16561751
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide (CID 35001469) is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is YJPAEKJNCUJHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15(2)19-10-9-16(3)11-20(19)29-13-22(28)26-25-21(27)12-18-14-30-23(24-18)17-7-5-4-6-8-17/h4-11,14-15H,12-13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide?
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 423.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 35001469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).