6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole

C10H6FNOS — CID 15754784

IUPAC6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole
SMILESC#CCOc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H6FNOS/c1-2-5-13-10-12-8-4-3-7(11)6-9(8)14-10/h1,3-4,6H,5H2
InChIKeyUADVVZQLFKQPLO-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.45
Rot. Bonds2

About 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole

6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole (PubChem CID 15754784) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole
PubChem CID15754784
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole
SMILESC#CCOc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H6FNOS/c1-2-5-13-10-12-8-4-3-7(11)6-9(8)14-10/h1,3-4,6H,5H2
InChIKeyUADVVZQLFKQPLO-UHFFFAOYSA-N
XLogP2.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole 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 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole (CID 15754784) is 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole is C#CCOc1nc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole?
The InChIKey is UADVVZQLFKQPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c1-2-5-13-10-12-8-4-3-7(11)6-9(8)14-10/h1,3-4,6H,5H2.
What are the key properties of 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole?
6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole has a molecular weight of 207.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-prop-2-ynoxy-1,3-benzothiazole is sourced from PubChem (CID 15754784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).