furo[3,2-g][1,3]benzothiazole

C9H5NOS — CID 45077048

IUPACfuro[3,2-g][1,3]benzothiazole
SMILESc1cc2ccc3ncsc3c2o1
InChIInChI=1S/C9H5NOS/c1-2-7-9(12-5-10-7)8-6(1)3-4-11-8/h1-5H
InChIKeyLYXCJSUQOZLHNY-UHFFFAOYSA-N
MW175.21 g/mol
LogP3.04
Rot. Bonds

About furo[3,2-g][1,3]benzothiazole

furo[3,2-g][1,3]benzothiazole (PubChem CID 45077048) has the molecular formula C9H5NOS and a molecular weight of 175.21 g/mol. Its IUPAC name is furo[3,2-g][1,3]benzothiazole.

Molecular Properties

Compound Namefuro[3,2-g][1,3]benzothiazole
PubChem CID45077048
Molecular FormulaC9H5NOS
Molecular Weight175.21 g/mol
Exact Mass175.01
IUPAC Namefuro[3,2-g][1,3]benzothiazole
SMILESc1cc2ccc3ncsc3c2o1
InChIInChI=1S/C9H5NOS/c1-2-7-9(12-5-10-7)8-6(1)3-4-11-8/h1-5H
InChIKeyLYXCJSUQOZLHNY-UHFFFAOYSA-N
XLogP3.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furo[3,2-g][1,3]benzothiazole?
The IUPAC name of furo[3,2-g][1,3]benzothiazole (CID 45077048) is furo[3,2-g][1,3]benzothiazole.
What is the SMILES notation for furo[3,2-g][1,3]benzothiazole?
The canonical SMILES for furo[3,2-g][1,3]benzothiazole is c1cc2ccc3ncsc3c2o1.
What is the InChIKey of furo[3,2-g][1,3]benzothiazole?
The InChIKey is LYXCJSUQOZLHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NOS/c1-2-7-9(12-5-10-7)8-6(1)3-4-11-8/h1-5H.
What are the key properties of furo[3,2-g][1,3]benzothiazole?
furo[3,2-g][1,3]benzothiazole has a molecular weight of 175.21 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,2-g][1,3]benzothiazole is sourced from PubChem (CID 45077048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).