2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide

C13H11N3O2S — CID 2319352

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1
InChIInChI=1S/C13H11N3O2S/c1-7-5-12(16-18-7)15-13(17)9-3-4-10-11(6-9)19-8(2)14-10/h3-6H,1-2H3,(H,15,16,17)
InChIKeyWYOXSWNEFWFYMY-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.15
Rot. Bonds2

About 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2319352) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID2319352
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1
InChIInChI=1S/C13H11N3O2S/c1-7-5-12(16-18-7)15-13(17)9-3-4-10-11(6-9)19-8(2)14-10/h3-6H,1-2H3,(H,15,16,17)
InChIKeyWYOXSWNEFWFYMY-UHFFFAOYSA-N
XLogP3.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide (CID 2319352) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide is Cc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is WYOXSWNEFWFYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7-5-12(16-18-7)15-13(17)9-3-4-10-11(6-9)19-8(2)14-10/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2319352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).