N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide

C15H19N3O4S — CID 9321929

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CN2CSCC2=O)c1
InChIInChI=1S/C15H19N3O4S/c1-10-3-11(2)5-12(4-10)22-7-14(20)17-16-13(19)6-18-9-23-8-15(18)21/h3-5H,6-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyIXAXIOMMXGFVMO-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.36
Rot. Bonds5

About N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide (PubChem CID 9321929) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
PubChem CID9321929
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CN2CSCC2=O)c1
InChIInChI=1S/C15H19N3O4S/c1-10-3-11(2)5-12(4-10)22-7-14(20)17-16-13(19)6-18-9-23-8-15(18)21/h3-5H,6-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyIXAXIOMMXGFVMO-UHFFFAOYSA-N
XLogP0.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.36
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-(3,5-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9096790
2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 9204914
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetohydrazide
CID 9322183
diethyl 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanedioate
CID 33247441
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 16549115
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide
CID 47102488
N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31363689
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 9322230
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide
CID 4928252

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide (CID 9321929) is N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)CN2CSCC2=O)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The InChIKey is IXAXIOMMXGFVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-3-11(2)5-12(4-10)22-7-14(20)17-16-13(19)6-18-9-23-8-15(18)21/h3-5H,6-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide has a molecular weight of 337.40 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide is sourced from PubChem (CID 9321929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).