N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C14H13N3O2S — CID 2115176

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1
InChIInChI=1S/C14H13N3O2S/c1-3-9-4-5-10-12(7-9)20-14(15-10)16-13(18)11-6-8(2)19-17-11/h4-7H,3H2,1-2H3,(H,15,16,18)
InChIKeyKWRYCYRMBFYUMT-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.41
Rot. Bonds3

About N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 2115176) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID2115176
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1
InChIInChI=1S/C14H13N3O2S/c1-3-9-4-5-10-12(7-9)20-14(15-10)16-13(18)11-6-8(2)19-17-11/h4-7H,3H2,1-2H3,(H,15,16,18)
InChIKeyKWRYCYRMBFYUMT-UHFFFAOYSA-N
XLogP3.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 2115176) is N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is CCc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KWRYCYRMBFYUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-9-4-5-10-12(7-9)20-14(15-10)16-13(18)11-6-8(2)19-17-11/h4-7H,3H2,1-2H3,(H,15,16,18).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2115176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).