2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole

C16H11NOS — CID 8829250

IUPAC2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole
SMILESCc1c(-c2nc3ccccc3s2)oc2ccccc12
InChIInChI=1S/C16H11NOS/c1-10-11-6-2-4-8-13(11)18-15(10)16-17-12-7-3-5-9-14(12)19-16/h2-9H,1H3
InChIKeyURURODYPGCBJCO-UHFFFAOYSA-N
MW265.34 g/mol
LogP5.02
Rot. Bonds1

About 2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole

2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole (PubChem CID 8829250) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole
PubChem CID8829250
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole
SMILESCc1c(-c2nc3ccccc3s2)oc2ccccc12
InChIInChI=1S/C16H11NOS/c1-10-11-6-2-4-8-13(11)18-15(10)16-17-12-7-3-5-9-14(12)19-16/h2-9H,1H3
InChIKeyURURODYPGCBJCO-UHFFFAOYSA-N
XLogP5.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.34
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methyl-1-benzofuran-2-yl)-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-methyl-1-benzofuran-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole (CID 8829250) is 2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole is Cc1c(-c2nc3ccccc3s2)oc2ccccc12.
What is the InChIKey of 2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole?
The InChIKey is URURODYPGCBJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c1-10-11-6-2-4-8-13(11)18-15(10)16-17-12-7-3-5-9-14(12)19-16/h2-9H,1H3.
What are the key properties of 2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole?
2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole has a molecular weight of 265.34 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-benzofuran-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 8829250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).