5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole

C15H9FN2OS2 — CID 61229353

IUPAC5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3cccc(F)n3)c3ccsc32)s1
InChIInChI=1S/C15H9FN2OS2/c1-8-17-14-11(21-8)7-10(9-5-6-20-15(9)14)19-13-4-2-3-12(16)18-13/h2-7H,1H3
InChIKeyKQPFQNNBXZIVDZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.15
Rot. Bonds2

About 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole

5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole (PubChem CID 61229353) has the molecular formula C15H9FN2OS2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole.

Molecular Properties

Compound Name5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
PubChem CID61229353
Molecular FormulaC15H9FN2OS2
Molecular Weight316.38 g/mol
Exact Mass316.01
IUPAC Name5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3cccc(F)n3)c3ccsc32)s1
InChIInChI=1S/C15H9FN2OS2/c1-8-17-14-11(21-8)7-10(9-5-6-20-15(9)14)19-13-4-2-3-12(16)18-13/h2-7H,1H3
InChIKeyKQPFQNNBXZIVDZ-UHFFFAOYSA-N
XLogP5.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The IUPAC name of 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole (CID 61229353) is 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole.
What is the SMILES notation for 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The canonical SMILES for 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole is Cc1nc2c(cc(Oc3cccc(F)n3)c3ccsc32)s1.
What is the InChIKey of 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The InChIKey is KQPFQNNBXZIVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2OS2/c1-8-17-14-11(21-8)7-10(9-5-6-20-15(9)14)19-13-4-2-3-12(16)18-13/h2-7H,1H3.
What are the key properties of 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole has a molecular weight of 316.38 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole is sourced from PubChem (CID 61229353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).