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

C14H11N3O2S — CID 90654523

IUPAC3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)n1sc2ccccc2c1=O
InChIInChI=1S/C14H11N3O2S/c18-13-11-6-1-2-7-12(11)20-17(13)14(19)16-9-10-5-3-4-8-15-10/h1-8H,9H2,(H,16,19)
InChIKeyYCLQCQOOBCWUJE-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.22
Rot. Bonds2

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

3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide (PubChem CID 90654523) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide
PubChem CID90654523
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)n1sc2ccccc2c1=O
InChIInChI=1S/C14H11N3O2S/c18-13-11-6-1-2-7-12(11)20-17(13)14(19)16-9-10-5-3-4-8-15-10/h1-8H,9H2,(H,16,19)
InChIKeyYCLQCQOOBCWUJE-UHFFFAOYSA-N
XLogP2.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.22
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-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 2532820
N-Pyridin-2-ylmethyl-4-sulfamoyl-benzamide
CID 10334453
N-(4-methylpyridin-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide
CID 16803835
N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide
CID 90654522
3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide
CID 90654524
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-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide
CID 90654539
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 663177
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 4170167

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide?
The IUPAC name of 3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide (CID 90654523) is 3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide.
What is the SMILES notation for 3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide?
The canonical SMILES for 3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide is O=C(NCc1ccccn1)n1sc2ccccc2c1=O.
What is the InChIKey of 3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide?
The InChIKey is YCLQCQOOBCWUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13-11-6-1-2-7-12(11)20-17(13)14(19)16-9-10-5-3-4-8-15-10/h1-8H,9H2,(H,16,19).
What are the key properties of 3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide?
3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide is sourced from PubChem (CID 90654523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).