[1,3]thiazolo[5,4-e][2,1]benzoxazole

C8H4N2OS — CID 57349206

IUPAC[1,3]thiazolo[5,4-e][2,1]benzoxazole
SMILESc1nc2ccc3nocc3c2s1
InChIInChI=1S/C8H4N2OS/c1-2-7-8(12-4-9-7)5-3-11-10-6(1)5/h1-4H
InChIKeyZCIOWBQROPJUIG-UHFFFAOYSA-N
MW176.20 g/mol
LogP2.44
Rot. Bonds

About [1,3]thiazolo[5,4-e][2,1]benzoxazole

[1,3]thiazolo[5,4-e][2,1]benzoxazole (PubChem CID 57349206) has the molecular formula C8H4N2OS and a molecular weight of 176.20 g/mol. Its IUPAC name is [1,3]thiazolo[5,4-e][2,1]benzoxazole.

Molecular Properties

Compound Name[1,3]thiazolo[5,4-e][2,1]benzoxazole
PubChem CID57349206
Molecular FormulaC8H4N2OS
Molecular Weight176.20 g/mol
Exact Mass176.00
IUPAC Name[1,3]thiazolo[5,4-e][2,1]benzoxazole
SMILESc1nc2ccc3nocc3c2s1
InChIInChI=1S/C8H4N2OS/c1-2-7-8(12-4-9-7)5-3-11-10-6(1)5/h1-4H
InChIKeyZCIOWBQROPJUIG-UHFFFAOYSA-N
XLogP2.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[5,4-e][2,1]benzoxazole?
The IUPAC name of [1,3]thiazolo[5,4-e][2,1]benzoxazole (CID 57349206) is [1,3]thiazolo[5,4-e][2,1]benzoxazole.
What is the SMILES notation for [1,3]thiazolo[5,4-e][2,1]benzoxazole?
The canonical SMILES for [1,3]thiazolo[5,4-e][2,1]benzoxazole is c1nc2ccc3nocc3c2s1.
What is the InChIKey of [1,3]thiazolo[5,4-e][2,1]benzoxazole?
The InChIKey is ZCIOWBQROPJUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2OS/c1-2-7-8(12-4-9-7)5-3-11-10-6(1)5/h1-4H.
What are the key properties of [1,3]thiazolo[5,4-e][2,1]benzoxazole?
[1,3]thiazolo[5,4-e][2,1]benzoxazole has a molecular weight of 176.20 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[5,4-e][2,1]benzoxazole is sourced from PubChem (CID 57349206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).