2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole

C24H14N2OS — CID 67305565

IUPAC2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4cc(-c5nc6ccccc6s5)ccc4c3)nc2c1
InChIInChI=1S/C24H14N2OS/c1-3-7-21-19(5-1)25-23(27-21)17-11-9-16-14-18(12-10-15(16)13-17)24-26-20-6-2-4-8-22(20)28-24/h1-14H
InChIKeyUSEBNELGAJYWMK-UHFFFAOYSA-N
MW378.46 g/mol
LogP6.92
Rot. Bonds2

About 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole

2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 67305565) has the molecular formula C24H14N2OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
PubChem CID67305565
Molecular FormulaC24H14N2OS
Molecular Weight378.46 g/mol
Exact Mass378.08
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4cc(-c5nc6ccccc6s5)ccc4c3)nc2c1
InChIInChI=1S/C24H14N2OS/c1-3-7-21-19(5-1)25-23(27-21)17-11-9-16-14-18(12-10-15(16)13-17)24-26-20-6-2-4-8-22(20)28-24/h1-14H
InChIKeyUSEBNELGAJYWMK-UHFFFAOYSA-N
XLogP6.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole (CID 67305565) is 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole is c1ccc2oc(-c3ccc4cc(-c5nc6ccccc6s5)ccc4c3)nc2c1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is USEBNELGAJYWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2OS/c1-3-7-21-19(5-1)25-23(27-21)17-11-9-16-14-18(12-10-15(16)13-17)24-26-20-6-2-4-8-22(20)28-24/h1-14H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole?
2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 378.46 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 67305565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).