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

C15H13N3O2S — CID 951327

IUPACN'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
SMILESO=C(COc1ccccc1)NNc1nc2ccccc2s1
InChIInChI=1S/C15H13N3O2S/c19-14(10-20-11-6-2-1-3-7-11)17-18-15-16-12-8-4-5-9-13(12)21-15/h1-9H,10H2,(H,16,18)(H,17,19)
InChIKeyIXSUFVHXYAESQE-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.82
Rot. Bonds5

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

N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide (PubChem CID 951327) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
PubChem CID951327
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
SMILESO=C(COc1ccccc1)NNc1nc2ccccc2s1
InChIInChI=1S/C15H13N3O2S/c19-14(10-20-11-6-2-1-3-7-11)17-18-15-16-12-8-4-5-9-13(12)21-15/h1-9H,10H2,(H,16,18)(H,17,19)
InChIKeyIXSUFVHXYAESQE-UHFFFAOYSA-N
XLogP2.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-2-phenoxyacetohydrazide?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide (CID 951327) is N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide is O=C(COc1ccccc1)NNc1nc2ccccc2s1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide?
The InChIKey is IXSUFVHXYAESQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(10-20-11-6-2-1-3-7-11)17-18-15-16-12-8-4-5-9-13(12)21-15/h1-9H,10H2,(H,16,18)(H,17,19).
What are the key properties of N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide?
N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide has a molecular weight of 299.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide is sourced from PubChem (CID 951327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).