2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole

C15H15NO2S — CID 2803247

IUPAC2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole
SMILESCOc1cccc(C2Nc3ccccc3S2)c1OC
InChIInChI=1S/C15H15NO2S/c1-17-12-8-5-6-10(14(12)18-2)15-16-11-7-3-4-9-13(11)19-15/h3-9,15-16H,1-2H3
InChIKeyAAFLPQOUUREKTG-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.92
Rot. Bonds3

About 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole

2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole (PubChem CID 2803247) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole
PubChem CID2803247
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole
SMILESCOc1cccc(C2Nc3ccccc3S2)c1OC
InChIInChI=1S/C15H15NO2S/c1-17-12-8-5-6-10(14(12)18-2)15-16-11-7-3-4-9-13(11)19-15/h3-9,15-16H,1-2H3
InChIKeyAAFLPQOUUREKTG-UHFFFAOYSA-N
XLogP3.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole (CID 2803247) is 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole is COc1cccc(C2Nc3ccccc3S2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is AAFLPQOUUREKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-17-12-8-5-6-10(14(12)18-2)15-16-11-7-3-4-9-13(11)19-15/h3-9,15-16H,1-2H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole?
2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 273.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 2803247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).