2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole

C23H13N3OS — CID 134482634

IUPAC2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole
SMILESc1cnc2cc(-c3nc4ccc(-c5nc6ccccc6o5)cc4s3)ccc2c1
InChIInChI=1S/C23H13N3OS/c1-2-6-20-17(5-1)25-22(27-20)15-9-10-18-21(13-15)28-23(26-18)16-8-7-14-4-3-11-24-19(14)12-16/h1-13H
InChIKeyIRBHXIVYELGYSD-UHFFFAOYSA-N
MW379.44 g/mol
LogP6.32
Rot. Bonds2

About 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole

2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole (PubChem CID 134482634) has the molecular formula C23H13N3OS and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole
PubChem CID134482634
Molecular FormulaC23H13N3OS
Molecular Weight379.44 g/mol
Exact Mass379.08
IUPAC Name2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole
SMILESc1cnc2cc(-c3nc4ccc(-c5nc6ccccc6o5)cc4s3)ccc2c1
InChIInChI=1S/C23H13N3OS/c1-2-6-20-17(5-1)25-22(27-20)15-9-10-18-21(13-15)28-23(26-18)16-8-7-14-4-3-11-24-19(14)12-16/h1-13H
InChIKeyIRBHXIVYELGYSD-UHFFFAOYSA-N
XLogP6.32
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole?
The IUPAC name of 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole (CID 134482634) is 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole is c1cnc2cc(-c3nc4ccc(-c5nc6ccccc6o5)cc4s3)ccc2c1.
What is the InChIKey of 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole?
The InChIKey is IRBHXIVYELGYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N3OS/c1-2-6-20-17(5-1)25-22(27-20)15-9-10-18-21(13-15)28-23(26-18)16-8-7-14-4-3-11-24-19(14)12-16/h1-13H.
What are the key properties of 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole?
2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole has a molecular weight of 379.44 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-7-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 134482634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).