5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide

C18H17FN2O3S — CID 24772267

IUPAC5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide
SMILESO=C(CCCCOc1ccc(-c2nc3ccccc3s2)c(F)c1)NO
InChIInChI=1S/C18H17FN2O3S/c19-14-11-12(24-10-4-3-7-17(22)21-23)8-9-13(14)18-20-15-5-1-2-6-16(15)25-18/h1-2,5-6,8-9,11,23H,3-4,7,10H2,(H,21,22)
InChIKeyFBKCIKSDJSWLLF-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.16
Rot. Bonds7

About 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide

5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide (PubChem CID 24772267) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide
PubChem CID24772267
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide
SMILESO=C(CCCCOc1ccc(-c2nc3ccccc3s2)c(F)c1)NO
InChIInChI=1S/C18H17FN2O3S/c19-14-11-12(24-10-4-3-7-17(22)21-23)8-9-13(14)18-20-15-5-1-2-6-16(15)25-18/h1-2,5-6,8-9,11,23H,3-4,7,10H2,(H,21,22)
InChIKeyFBKCIKSDJSWLLF-UHFFFAOYSA-N
XLogP4.16
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide?
The IUPAC name of 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide (CID 24772267) is 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide.
What is the SMILES notation for 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide?
The canonical SMILES for 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide is O=C(CCCCOc1ccc(-c2nc3ccccc3s2)c(F)c1)NO.
What is the InChIKey of 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide?
The InChIKey is FBKCIKSDJSWLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c19-14-11-12(24-10-4-3-7-17(22)21-23)8-9-13(14)18-20-15-5-1-2-6-16(15)25-18/h1-2,5-6,8-9,11,23H,3-4,7,10H2,(H,21,22).
What are the key properties of 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide?
5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide has a molecular weight of 360.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-benzothiazol-2-yl)-3-fluorophenoxy]-N-hydroxypentanamide is sourced from PubChem (CID 24772267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).