N'-(1,3-benzothiazol-2-yl)acetohydrazide

C9H9N3OS — CID 872849

IUPACN'-(1,3-benzothiazol-2-yl)acetohydrazide
SMILESCC(=O)NNc1nc2ccccc2s1
InChIInChI=1S/C9H9N3OS/c1-6(13)11-12-9-10-7-4-2-3-5-8(7)14-9/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKeyNIOFVRMZZVLLAK-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.76
Rot. Bonds2

About N'-(1,3-benzothiazol-2-yl)acetohydrazide

N'-(1,3-benzothiazol-2-yl)acetohydrazide (PubChem CID 872849) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)acetohydrazide
PubChem CID872849
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN'-(1,3-benzothiazol-2-yl)acetohydrazide
SMILESCC(=O)NNc1nc2ccccc2s1
InChIInChI=1S/C9H9N3OS/c1-6(13)11-12-9-10-7-4-2-3-5-8(7)14-9/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKeyNIOFVRMZZVLLAK-UHFFFAOYSA-N
XLogP1.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-(1,3-benzothiazol-2-yl)acetohydrazide?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)acetohydrazide (CID 872849) is N'-(1,3-benzothiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)acetohydrazide is CC(=O)NNc1nc2ccccc2s1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)acetohydrazide?
The InChIKey is NIOFVRMZZVLLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6(13)11-12-9-10-7-4-2-3-5-8(7)14-9/h2-5H,1H3,(H,10,12)(H,11,13).
What are the key properties of N'-(1,3-benzothiazol-2-yl)acetohydrazide?
N'-(1,3-benzothiazol-2-yl)acetohydrazide has a molecular weight of 207.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)acetohydrazide is sourced from PubChem (CID 872849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).