2,7-dimethylfuro[3,2-e][1,3]benzothiazole

C11H9NOS — CID 59782217

IUPAC2,7-dimethylfuro[3,2-e][1,3]benzothiazole
SMILESCc1cc2c(ccc3sc(C)nc32)o1
InChIInChI=1S/C11H9NOS/c1-6-5-8-9(13-6)3-4-10-11(8)12-7(2)14-10/h3-5H,1-2H3
InChIKeyWIJCHRIIXHRTQU-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.66
Rot. Bonds

About 2,7-dimethylfuro[3,2-e][1,3]benzothiazole

2,7-dimethylfuro[3,2-e][1,3]benzothiazole (PubChem CID 59782217) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2,7-dimethylfuro[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2,7-dimethylfuro[3,2-e][1,3]benzothiazole
PubChem CID59782217
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2,7-dimethylfuro[3,2-e][1,3]benzothiazole
SMILESCc1cc2c(ccc3sc(C)nc32)o1
InChIInChI=1S/C11H9NOS/c1-6-5-8-9(13-6)3-4-10-11(8)12-7(2)14-10/h3-5H,1-2H3
InChIKeyWIJCHRIIXHRTQU-UHFFFAOYSA-N
XLogP3.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylfuro[3,2-e][1,3]benzothiazole?
The IUPAC name of 2,7-dimethylfuro[3,2-e][1,3]benzothiazole (CID 59782217) is 2,7-dimethylfuro[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2,7-dimethylfuro[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2,7-dimethylfuro[3,2-e][1,3]benzothiazole is Cc1cc2c(ccc3sc(C)nc32)o1.
What is the InChIKey of 2,7-dimethylfuro[3,2-e][1,3]benzothiazole?
The InChIKey is WIJCHRIIXHRTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-6-5-8-9(13-6)3-4-10-11(8)12-7(2)14-10/h3-5H,1-2H3.
What are the key properties of 2,7-dimethylfuro[3,2-e][1,3]benzothiazole?
2,7-dimethylfuro[3,2-e][1,3]benzothiazole has a molecular weight of 203.27 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylfuro[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 59782217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).