2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole

C14H9N3OS2 — CID 4787763

IUPAC2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3cnccn3)c3ccsc32)s1
InChIInChI=1S/C14H9N3OS2/c1-8-17-13-11(20-8)6-10(9-2-5-19-14(9)13)18-12-7-15-3-4-16-12/h2-7H,1H3
InChIKeyHCFVYSTXBATHPY-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.40
Rot. Bonds2

About 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole

2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole (PubChem CID 4787763) has the molecular formula C14H9N3OS2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole
PubChem CID4787763
Molecular FormulaC14H9N3OS2
Molecular Weight299.38 g/mol
Exact Mass299.02
IUPAC Name2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3cnccn3)c3ccsc32)s1
InChIInChI=1S/C14H9N3OS2/c1-8-17-13-11(20-8)6-10(9-2-5-19-14(9)13)18-12-7-15-3-4-16-12/h2-7H,1H3
InChIKeyHCFVYSTXBATHPY-UHFFFAOYSA-N
XLogP4.40
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole?
The IUPAC name of 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole (CID 4787763) is 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole.
What is the SMILES notation for 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole?
The canonical SMILES for 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole is Cc1nc2c(cc(Oc3cnccn3)c3ccsc32)s1.
What is the InChIKey of 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole?
The InChIKey is HCFVYSTXBATHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS2/c1-8-17-13-11(20-8)6-10(9-2-5-19-14(9)13)18-12-7-15-3-4-16-12/h2-7H,1H3.
What are the key properties of 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole?
2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole has a molecular weight of 299.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrazin-2-yloxythieno[2,3-e][1,3]benzothiazole is sourced from PubChem (CID 4787763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).