2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole

C11H8N2OS — CID 13331900

IUPAC2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole
SMILESCc1coc(-c2nc3ccccc3s2)n1
InChIInChI=1S/C11H8N2OS/c1-7-6-14-10(12-7)11-13-8-4-2-3-5-9(8)15-11/h2-6H,1H3
InChIKeyATMLATSNJFQXCF-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.26
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole

2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole (PubChem CID 13331900) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole
PubChem CID13331900
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole
SMILESCc1coc(-c2nc3ccccc3s2)n1
InChIInChI=1S/C11H8N2OS/c1-7-6-14-10(12-7)11-13-8-4-2-3-5-9(8)15-11/h2-6H,1H3
InChIKeyATMLATSNJFQXCF-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole (CID 13331900) is 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole is Cc1coc(-c2nc3ccccc3s2)n1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole?
The InChIKey is ATMLATSNJFQXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-6-14-10(12-7)11-13-8-4-2-3-5-9(8)15-11/h2-6H,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole?
2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-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 2-(1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 13331900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).