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

C7H10N4O2S — CID 3087144

IUPAC4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESNNC(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C7H10N4O2S/c8-11-6(13)2-1-5(12)10-7-9-3-4-14-7/h3-4H,1-2,8H2,(H,11,13)(H,9,10,12)
InChIKeyRYXBLICQLADFJM-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.15
Rot. Bonds4

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

4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 3087144) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide
PubChem CID3087144
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESNNC(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C7H10N4O2S/c8-11-6(13)2-1-5(12)10-7-9-3-4-14-7/h3-4H,1-2,8H2,(H,11,13)(H,9,10,12)
InChIKeyRYXBLICQLADFJM-UHFFFAOYSA-N
XLogP-0.15
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide (CID 3087144) is 4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide is NNC(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of 4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is RYXBLICQLADFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c8-11-6(13)2-1-5(12)10-7-9-3-4-14-7/h3-4H,1-2,8H2,(H,11,13)(H,9,10,12).
What are the key properties of 4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 214.25 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-4-oxo-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3087144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).