2-(2-phenylmethoxyphenyl)-1,3-benzothiazole

C20H15NOS — CID 123170095

IUPAC2-(2-phenylmethoxyphenyl)-1,3-benzothiazole
SMILESc1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H15NOS/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)20-21-17-11-5-7-13-19(17)23-20/h1-13H,14H2
InChIKeyQBRMZNCNHVWRHS-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.54
Rot. Bonds4

About 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole

2-(2-phenylmethoxyphenyl)-1,3-benzothiazole (PubChem CID 123170095) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenyl)-1,3-benzothiazole
PubChem CID123170095
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name2-(2-phenylmethoxyphenyl)-1,3-benzothiazole
SMILESc1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H15NOS/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)20-21-17-11-5-7-13-19(17)23-20/h1-13H,14H2
InChIKeyQBRMZNCNHVWRHS-UHFFFAOYSA-N
XLogP5.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole (CID 123170095) is 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole is c1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole?
The InChIKey is QBRMZNCNHVWRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)20-21-17-11-5-7-13-19(17)23-20/h1-13H,14H2.
What are the key properties of 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole?
2-(2-phenylmethoxyphenyl)-1,3-benzothiazole has a molecular weight of 317.41 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyphenyl)-1,3-benzothiazole is sourced from PubChem (CID 123170095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).