3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide

C15H13N3O2S — CID 90654524

IUPAC3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide
SMILESO=C(NCCc1ccccn1)n1sc2ccccc2c1=O
InChIInChI=1S/C15H13N3O2S/c19-14-12-6-1-2-7-13(12)21-18(14)15(20)17-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,20)
InChIKeyNIUPFWVLJIIRQA-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.26
Rot. Bonds3

About 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide

3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide (PubChem CID 90654524) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide
PubChem CID90654524
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide
SMILESO=C(NCCc1ccccn1)n1sc2ccccc2c1=O
InChIInChI=1S/C15H13N3O2S/c19-14-12-6-1-2-7-13(12)21-18(14)15(20)17-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,20)
InChIKeyNIUPFWVLJIIRQA-UHFFFAOYSA-N
XLogP2.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methylpyrimidin-2-yl)-1,2-benzothiazol-3-one
CID 2408437
N-benzoyl-N'-[2-(2-pyridinyl)ethyl]thiourea
CID 2826577
N-Pyridin-3-ylmethyl-3-(pyrrolidine-1-sulfonyl)-benzamide
CID 683251
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 2578261
N-Pyridin-2-ylmethyl-4-sulfamoyl-benzamide
CID 10334453
N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide
CID 90654522
3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide
CID 90654523
3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide
CID 90654532
2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide
CID 90654538
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 663177
N-{3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]propyl}isonicotinamide
CID 135448884
N-[4-(3-methylbutylcarbamoyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 57510061

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide?
The IUPAC name of 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide (CID 90654524) is 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide.
What is the SMILES notation for 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide?
The canonical SMILES for 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide is O=C(NCCc1ccccn1)n1sc2ccccc2c1=O.
What is the InChIKey of 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide?
The InChIKey is NIUPFWVLJIIRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14-12-6-1-2-7-13(12)21-18(14)15(20)17-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,20).
What are the key properties of 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide?
3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide is sourced from PubChem (CID 90654524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).