2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide

C5H7N3O2S — CID 63578715

IUPAC2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide
SMILESNNC(=O)Cn1ccsc1=O
InChIInChI=1S/C5H7N3O2S/c6-7-4(9)3-8-1-2-11-5(8)10/h1-2H,3,6H2,(H,7,9)
InChIKeyNQJJGXFFQUOPBM-UHFFFAOYSA-N
MW173.20 g/mol
LogP-1.10
Rot. Bonds2

About 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide

2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide (PubChem CID 63578715) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide
PubChem CID63578715
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide
SMILESNNC(=O)Cn1ccsc1=O
InChIInChI=1S/C5H7N3O2S/c6-7-4(9)3-8-1-2-11-5(8)10/h1-2H,3,6H2,(H,7,9)
InChIKeyNQJJGXFFQUOPBM-UHFFFAOYSA-N
XLogP-1.10
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
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 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide?
The IUPAC name of 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide (CID 63578715) is 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide?
The canonical SMILES for 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide is NNC(=O)Cn1ccsc1=O.
What is the InChIKey of 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide?
The InChIKey is NQJJGXFFQUOPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c6-7-4(9)3-8-1-2-11-5(8)10/h1-2H,3,6H2,(H,7,9).
What are the key properties of 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide?
2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide has a molecular weight of 173.20 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide is sourced from PubChem (CID 63578715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).