thieno[2,3-g][2,1]benzoxazole

C9H5NOS — CID 59692784

IUPACthieno[2,3-g][2,1]benzoxazole
SMILESc1cc2c(ccc3conc32)s1
InChIInChI=1S/C9H5NOS/c1-2-8-7(3-4-12-8)9-6(1)5-11-10-9/h1-5H
InChIKeyWEYPCTJEHIVDCC-UHFFFAOYSA-N
MW175.21 g/mol
LogP3.04
Rot. Bonds

About thieno[2,3-g][2,1]benzoxazole

thieno[2,3-g][2,1]benzoxazole (PubChem CID 59692784) has the molecular formula C9H5NOS and a molecular weight of 175.21 g/mol. Its IUPAC name is thieno[2,3-g][2,1]benzoxazole.

Molecular Properties

Compound Namethieno[2,3-g][2,1]benzoxazole
PubChem CID59692784
Molecular FormulaC9H5NOS
Molecular Weight175.21 g/mol
Exact Mass175.01
IUPAC Namethieno[2,3-g][2,1]benzoxazole
SMILESc1cc2c(ccc3conc32)s1
InChIInChI=1S/C9H5NOS/c1-2-8-7(3-4-12-8)9-6(1)5-11-10-9/h1-5H
InChIKeyWEYPCTJEHIVDCC-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 thieno[2,3-g][2,1]benzoxazole?
The IUPAC name of thieno[2,3-g][2,1]benzoxazole (CID 59692784) is thieno[2,3-g][2,1]benzoxazole.
What is the SMILES notation for thieno[2,3-g][2,1]benzoxazole?
The canonical SMILES for thieno[2,3-g][2,1]benzoxazole is c1cc2c(ccc3conc32)s1.
What is the InChIKey of thieno[2,3-g][2,1]benzoxazole?
The InChIKey is WEYPCTJEHIVDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NOS/c1-2-8-7(3-4-12-8)9-6(1)5-11-10-9/h1-5H.
What are the key properties of thieno[2,3-g][2,1]benzoxazole?
thieno[2,3-g][2,1]benzoxazole 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 thieno[2,3-g][2,1]benzoxazole is sourced from PubChem (CID 59692784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).