2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide

C15H19N3O3S — CID 18106389

IUPAC2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCN2CCSC2=O)c(C)c1
InChIInChI=1S/C15H19N3O3S/c1-10-3-4-12(11(2)9-10)14(20)17-16-13(19)5-6-18-7-8-22-15(18)21/h3-4,9H,5-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyAYIYZAZACDHTKZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.62
Rot. Bonds4

About 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide

2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide (PubChem CID 18106389) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide
PubChem CID18106389
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCN2CCSC2=O)c(C)c1
InChIInChI=1S/C15H19N3O3S/c1-10-3-4-12(11(2)9-10)14(20)17-16-13(19)5-6-18-7-8-22-15(18)21/h3-4,9H,5-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyAYIYZAZACDHTKZ-UHFFFAOYSA-N
XLogP1.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]benzoic acid
CID 61406074
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003458
N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
CID 9275952
N-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46543614
methyl 2-methoxy-5-[[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]methyl]benzoate
CID 18113018
N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18102547
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 25336509
N-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9243763
2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 18120612
N-[4-(hydroxymethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64795223

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide?
The IUPAC name of 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide (CID 18106389) is 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide?
The canonical SMILES for 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)CCN2CCSC2=O)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide?
The InChIKey is AYIYZAZACDHTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-3-4-12(11(2)9-10)14(20)17-16-13(19)5-6-18-7-8-22-15(18)21/h3-4,9H,5-8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide?
2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide has a molecular weight of 321.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 18106389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).