5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole

C11H8N2OS — CID 45077543

IUPAC5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3ccccc3s2)on1
InChIInChI=1S/C11H8N2OS/c1-7-6-9(14-13-7)11-12-8-4-2-3-5-10(8)15-11/h2-6H,1H3
InChIKeyMLAXOAVBJMLYHI-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.26
Rot. Bonds1

About 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole

5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole (PubChem CID 45077543) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole
PubChem CID45077543
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3ccccc3s2)on1
InChIInChI=1S/C11H8N2OS/c1-7-6-9(14-13-7)11-12-8-4-2-3-5-10(8)15-11/h2-6H,1H3
InChIKeyMLAXOAVBJMLYHI-UHFFFAOYSA-N
XLogP3.26
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole 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 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole (CID 45077543) is 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole is Cc1cc(-c2nc3ccccc3s2)on1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole?
The InChIKey is MLAXOAVBJMLYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-6-9(14-13-7)11-12-8-4-2-3-5-10(8)15-11/h2-6H,1H3.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole?
5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole has a molecular weight of 216.27 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 45077543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).