N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

C15H13N3O2S — CID 2089261

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1
InChIInChI=1S/C15H13N3O2S/c1-2-20-10-6-7-11-13(9-10)21-15(17-11)18-14(19)12-5-3-4-8-16-12/h3-9H,2H2,1H3,(H,17,18,19)
InChIKeyHZHJFLCQYCWEIU-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.34
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 2089261) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID2089261
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1
InChIInChI=1S/C15H13N3O2S/c1-2-20-10-6-7-11-13(9-10)21-15(17-11)18-14(19)12-5-3-4-8-16-12/h3-9H,2H2,1H3,(H,17,18,19)
InChIKeyHZHJFLCQYCWEIU-UHFFFAOYSA-N
XLogP3.34
TPSA64.11 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 2089261) is N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is CCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is HZHJFLCQYCWEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-10-6-7-11-13(9-10)21-15(17-11)18-14(19)12-5-3-4-8-16-12/h3-9H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 2089261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).