2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide

C19H15NO2S — CID 12060922

IUPAC2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide
SMILESO=S1c2ccccc2C(c2ccccc2)(c2ccccc2)N1O
InChIInChI=1S/C19H15NO2S/c21-20-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18(17)23(20)22/h1-14,21H
InChIKeyQFXSLIXLMOTGSI-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.71
Rot. Bonds2

About 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide

2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide (PubChem CID 12060922) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide.

Molecular Properties

Compound Name2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide
PubChem CID12060922
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide
SMILESO=S1c2ccccc2C(c2ccccc2)(c2ccccc2)N1O
InChIInChI=1S/C19H15NO2S/c21-20-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18(17)23(20)22/h1-14,21H
InChIKeyQFXSLIXLMOTGSI-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide?
The IUPAC name of 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide (CID 12060922) is 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide.
What is the SMILES notation for 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide?
The canonical SMILES for 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide is O=S1c2ccccc2C(c2ccccc2)(c2ccccc2)N1O.
What is the InChIKey of 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide?
The InChIKey is QFXSLIXLMOTGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-20-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18(17)23(20)22/h1-14,21H.
What are the key properties of 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide?
2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide has a molecular weight of 321.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-diphenyl-1,2-benzothiazole 1-oxide is sourced from PubChem (CID 12060922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).