4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide

C11H16N4O3S — CID 3079249

IUPAC4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)NNC(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C11H16N4O3S/c1-2-3-9(17)14-15-10(18)5-4-8(16)13-11-12-6-7-19-11/h6-7H,2-5H2,1H3,(H,14,17)(H,15,18)(H,12,13,16)
InChIKeySBFHXVFJPLELFD-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.81
Rot. Bonds6

About 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide

4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 3079249) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
PubChem CID3079249
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)NNC(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C11H16N4O3S/c1-2-3-9(17)14-15-10(18)5-4-8(16)13-11-12-6-7-19-11/h6-7H,2-5H2,1H3,(H,14,17)(H,15,18)(H,12,13,16)
InChIKeySBFHXVFJPLELFD-UHFFFAOYSA-N
XLogP0.81
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
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 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide (CID 3079249) is 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide is CCCC(=O)NNC(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is SBFHXVFJPLELFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-2-3-9(17)14-15-10(18)5-4-8(16)13-11-12-6-7-19-11/h6-7H,2-5H2,1H3,(H,14,17)(H,15,18)(H,12,13,16).
What are the key properties of 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 284.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3079249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).