2-butoxy-6-fluoro-1,3-benzothiazole

C11H12FNOS — CID 14853782

IUPAC2-butoxy-6-fluoro-1,3-benzothiazole
SMILESCCCCOc1nc2ccc(F)cc2s1
InChIInChI=1S/C11H12FNOS/c1-2-3-6-14-11-13-9-5-4-8(12)7-10(9)15-11/h4-5,7H,2-3,6H2,1H3
InChIKeyIDLWSYSUWHGASV-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.61
Rot. Bonds4

About 2-butoxy-6-fluoro-1,3-benzothiazole

2-butoxy-6-fluoro-1,3-benzothiazole (PubChem CID 14853782) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-butoxy-6-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-butoxy-6-fluoro-1,3-benzothiazole
PubChem CID14853782
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name2-butoxy-6-fluoro-1,3-benzothiazole
SMILESCCCCOc1nc2ccc(F)cc2s1
InChIInChI=1S/C11H12FNOS/c1-2-3-6-14-11-13-9-5-4-8(12)7-10(9)15-11/h4-5,7H,2-3,6H2,1H3
InChIKeyIDLWSYSUWHGASV-UHFFFAOYSA-N
XLogP3.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-fluoro-1,3-benzothiazole?
The IUPAC name of 2-butoxy-6-fluoro-1,3-benzothiazole (CID 14853782) is 2-butoxy-6-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-butoxy-6-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-butoxy-6-fluoro-1,3-benzothiazole is CCCCOc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-butoxy-6-fluoro-1,3-benzothiazole?
The InChIKey is IDLWSYSUWHGASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-2-3-6-14-11-13-9-5-4-8(12)7-10(9)15-11/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-butoxy-6-fluoro-1,3-benzothiazole?
2-butoxy-6-fluoro-1,3-benzothiazole has a molecular weight of 225.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-fluoro-1,3-benzothiazole is sourced from PubChem (CID 14853782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).