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

C6H9N3O2S — CID 63578714

IUPAC2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide
SMILESCC(C(=O)NN)n1ccsc1=O
InChIInChI=1S/C6H9N3O2S/c1-4(5(10)8-7)9-2-3-12-6(9)11/h2-4H,7H2,1H3,(H,8,10)
InChIKeyFQCDSIDKICKADP-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.54
Rot. Bonds2

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

2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide (PubChem CID 63578714) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide
PubChem CID63578714
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide
SMILESCC(C(=O)NN)n1ccsc1=O
InChIInChI=1S/C6H9N3O2S/c1-4(5(10)8-7)9-2-3-12-6(9)11/h2-4H,7H2,1H3,(H,8,10)
InChIKeyFQCDSIDKICKADP-UHFFFAOYSA-N
XLogP-0.54
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.54
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)propanehydrazide?
The IUPAC name of 2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide (CID 63578714) is 2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide?
The canonical SMILES for 2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide is CC(C(=O)NN)n1ccsc1=O.
What is the InChIKey of 2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide?
The InChIKey is FQCDSIDKICKADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-4(5(10)8-7)9-2-3-12-6(9)11/h2-4H,7H2,1H3,(H,8,10).
What are the key properties of 2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide?
2-(2-oxo-1,3-thiazol-3-yl)propanehydrazide has a molecular weight of 187.22 g/mol, XLogP of -0.54, 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)propanehydrazide is sourced from PubChem (CID 63578714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).