5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide

C14H10FN3O2S — CID 167505383

IUPAC5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cc(Oc2ccc3scnc3c2)ccc1F
InChIInChI=1S/C14H10FN3O2S/c15-11-3-1-8(5-10(11)14(16)18-19)20-9-2-4-13-12(6-9)17-7-21-13/h1-7,19H,(H2,16,18)
InChIKeyIOBJDBFYIKLNLA-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.32
Rot. Bonds3

About 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide

5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 167505383) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID167505383
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cc(Oc2ccc3scnc3c2)ccc1F
InChIInChI=1S/C14H10FN3O2S/c15-11-3-1-8(5-10(11)14(16)18-19)20-9-2-4-13-12(6-9)17-7-21-13/h1-7,19H,(H2,16,18)
InChIKeyIOBJDBFYIKLNLA-UHFFFAOYSA-N
XLogP3.32
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 167505383) is 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1cc(Oc2ccc3scnc3c2)ccc1F.
What is the InChIKey of 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is IOBJDBFYIKLNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-11-3-1-8(5-10(11)14(16)18-19)20-9-2-4-13-12(6-9)17-7-21-13/h1-7,19H,(H2,16,18).
What are the key properties of 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide?
5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 303.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-5-yloxy)-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 167505383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).