acetohydrazide;1,3-thiazole

C5H9N3OS — CID 139226740

IUPACacetohydrazide;1,3-thiazole
SMILESCC(=O)NN.c1cscn1
InChIInChI=1S/C3H3NS.C2H6N2O/c1-2-5-3-4-1;1-2(5)4-3/h1-3H;3H2,1H3,(H,4,5)
InChIKeyKMYMQXVBTYFUEF-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.14
Rot. Bonds

About acetohydrazide;1,3-thiazole

acetohydrazide;1,3-thiazole (PubChem CID 139226740) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is acetohydrazide;1,3-thiazole.

Molecular Properties

Compound Nameacetohydrazide;1,3-thiazole
PubChem CID139226740
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Nameacetohydrazide;1,3-thiazole
SMILESCC(=O)NN.c1cscn1
InChIInChI=1S/C3H3NS.C2H6N2O/c1-2-5-3-4-1;1-2(5)4-3/h1-3H;3H2,1H3,(H,4,5)
InChIKeyKMYMQXVBTYFUEF-UHFFFAOYSA-N
XLogP0.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 acetohydrazide;1,3-thiazole?
The IUPAC name of acetohydrazide;1,3-thiazole (CID 139226740) is acetohydrazide;1,3-thiazole.
What is the SMILES notation for acetohydrazide;1,3-thiazole?
The canonical SMILES for acetohydrazide;1,3-thiazole is CC(=O)NN.c1cscn1.
What is the InChIKey of acetohydrazide;1,3-thiazole?
The InChIKey is KMYMQXVBTYFUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS.C2H6N2O/c1-2-5-3-4-1;1-2(5)4-3/h1-3H;3H2,1H3,(H,4,5).
What are the key properties of acetohydrazide;1,3-thiazole?
acetohydrazide;1,3-thiazole has a molecular weight of 159.21 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;1,3-thiazole is sourced from PubChem (CID 139226740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).