5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole

C11H9NOS2 — CID 658425

IUPAC5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCOc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C11H9NOS2/c1-6-12-10-9(15-6)5-8(13-2)7-3-4-14-11(7)10/h3-5H,1-2H3
InChIKeyYDZZWVSGBXQNGF-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.83
Rot. Bonds1

About 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole

5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole (PubChem CID 658425) has the molecular formula C11H9NOS2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole.

Molecular Properties

Compound Name5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole
PubChem CID658425
Molecular FormulaC11H9NOS2
Molecular Weight235.33 g/mol
Exact Mass235.01
IUPAC Name5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCOc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C11H9NOS2/c1-6-12-10-9(15-6)5-8(13-2)7-3-4-14-11(7)10/h3-5H,1-2H3
InChIKeyYDZZWVSGBXQNGF-UHFFFAOYSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole?
The IUPAC name of 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole (CID 658425) is 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole.
What is the SMILES notation for 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole?
The canonical SMILES for 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole is COc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole?
The InChIKey is YDZZWVSGBXQNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS2/c1-6-12-10-9(15-6)5-8(13-2)7-3-4-14-11(7)10/h3-5H,1-2H3.
What are the key properties of 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole?
5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole has a molecular weight of 235.33 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazole is sourced from PubChem (CID 658425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).