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

C15H9BrN2OS2 — CID 61373744

IUPAC5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3ncccc3Br)c3ccsc32)s1
InChIInChI=1S/C15H9BrN2OS2/c1-8-18-13-12(21-8)7-11(9-4-6-20-14(9)13)19-15-10(16)3-2-5-17-15/h2-7H,1H3
InChIKeyBALVFTDWJUWJBO-UHFFFAOYSA-N
MW377.29 g/mol
LogP5.77
Rot. Bonds2

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

5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole (PubChem CID 61373744) has the molecular formula C15H9BrN2OS2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole.

Molecular Properties

Compound Name5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
PubChem CID61373744
Molecular FormulaC15H9BrN2OS2
Molecular Weight377.29 g/mol
Exact Mass375.93
IUPAC Name5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3ncccc3Br)c3ccsc32)s1
InChIInChI=1S/C15H9BrN2OS2/c1-8-18-13-12(21-8)7-11(9-4-6-20-14(9)13)19-15-10(16)3-2-5-17-15/h2-7H,1H3
InChIKeyBALVFTDWJUWJBO-UHFFFAOYSA-N
XLogP5.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The IUPAC name of 5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole (CID 61373744) is 5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole.
What is the SMILES notation for 5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The canonical SMILES for 5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole is Cc1nc2c(cc(Oc3ncccc3Br)c3ccsc32)s1.
What is the InChIKey of 5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The InChIKey is BALVFTDWJUWJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2OS2/c1-8-18-13-12(21-8)7-11(9-4-6-20-14(9)13)19-15-10(16)3-2-5-17-15/h2-7H,1H3.
What are the key properties of 5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole has a molecular weight of 377.29 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole is sourced from PubChem (CID 61373744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).