2-(3,5-dimethoxyphenyl)-1,3-benzothiazole

C15H13NO2S — CID 736985

IUPAC2-(3,5-dimethoxyphenyl)-1,3-benzothiazole
SMILESCOc1cc(OC)cc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C15H13NO2S/c1-17-11-7-10(8-12(9-11)18-2)15-16-13-5-3-4-6-14(13)19-15/h3-9H,1-2H3
InChIKeyPUMQIHKLYVQPMM-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole

2-(3,5-dimethoxyphenyl)-1,3-benzothiazole (PubChem CID 736985) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-1,3-benzothiazole
PubChem CID736985
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-(3,5-dimethoxyphenyl)-1,3-benzothiazole
SMILESCOc1cc(OC)cc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C15H13NO2S/c1-17-11-7-10(8-12(9-11)18-2)15-16-13-5-3-4-6-14(13)19-15/h3-9H,1-2H3
InChIKeyPUMQIHKLYVQPMM-UHFFFAOYSA-N
XLogP3.98
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole (CID 736985) is 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole is COc1cc(OC)cc(-c2nc3ccccc3s2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole?
The InChIKey is PUMQIHKLYVQPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-11-7-10(8-12(9-11)18-2)15-16-13-5-3-4-6-14(13)19-15/h3-9H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole?
2-(3,5-dimethoxyphenyl)-1,3-benzothiazole has a molecular weight of 271.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-1,3-benzothiazole is sourced from PubChem (CID 736985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).