N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H11N3O2S — CID 2649155

IUPACN-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H11N3O2S/c1-7-11(8(2)18-16-7)12(17)15-13-14-9-5-3-4-6-10(9)19-13/h3-6H,1-2H3,(H,14,15,17)
InChIKeyGLFGRDMASKNULH-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.15
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2649155) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2649155
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H11N3O2S/c1-7-11(8(2)18-16-7)12(17)15-13-14-9-5-3-4-6-10(9)19-13/h3-6H,1-2H3,(H,14,15,17)
InChIKeyGLFGRDMASKNULH-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 N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2649155) is N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GLFGRDMASKNULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7-11(8(2)18-16-7)12(17)15-13-14-9-5-3-4-6-10(9)19-13/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-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 N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2649155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).