2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C15H13N3O2S — CID 5307934

IUPAC2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)NCc1ccccn1
InChIInChI=1S/C15H13N3O2S/c19-14(17-9-11-5-3-4-8-16-11)10-18-12-6-1-2-7-13(12)21-15(18)20/h1-8H,9-10H2,(H,17,19)
InChIKeyXQHDBCNPQXNCME-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.77
Rot. Bonds4

About 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 5307934) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID5307934
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)NCc1ccccn1
InChIInChI=1S/C15H13N3O2S/c19-14(17-9-11-5-3-4-8-16-11)10-18-12-6-1-2-7-13(12)21-15(18)20/h1-8H,9-10H2,(H,17,19)
InChIKeyXQHDBCNPQXNCME-UHFFFAOYSA-N
XLogP1.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 5307934) is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1c(=O)sc2ccccc21)NCc1ccccn1.
What is the InChIKey of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is XQHDBCNPQXNCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(17-9-11-5-3-4-8-16-11)10-18-12-6-1-2-7-13(12)21-15(18)20/h1-8H,9-10H2,(H,17,19).
What are the key properties of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 299.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 5307934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).