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

C15H13N3O2S — CID 3242337

IUPAC3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)Nc1cccnc1
InChIInChI=1S/C15H13N3O2S/c19-14(17-11-4-3-8-16-10-11)7-9-18-12-5-1-2-6-13(12)21-15(18)20/h1-6,8,10H,7,9H2,(H,17,19)
InChIKeyJBPIVNLRBIRAHL-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.49
Rot. Bonds4

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

3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide (PubChem CID 3242337) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide
PubChem CID3242337
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)Nc1cccnc1
InChIInChI=1S/C15H13N3O2S/c19-14(17-11-4-3-8-16-10-11)7-9-18-12-5-1-2-6-13(12)21-15(18)20/h1-6,8,10H,7,9H2,(H,17,19)
InChIKeyJBPIVNLRBIRAHL-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide
CID 4879707
2-phenylsulfanyl-N-pyridin-3-ylacetamide
CID 801624
2-(phenylsulfonyl)-N-(3-pyridyl)acetamide
CID 2991697
N-[3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]acetamide iodide
CID 54581976
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 5307934
2-{(Z)-[6-(acetylamino)-3-butyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridinium
CID 24761364
Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)-
CID 3006727
CID 72201046
CID 72201046
2-ethyl-2-(2-pyridyl)-3H-1,3-benzothiazole
CID 3006728
2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(3-pyridinyl)acetamide
CID 11837209
N-[3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]acetamide
CID 15993147
2-{[6-(acetylamino)-3-ethyl-1,3-benzothiazol-2(3H)-yliden]methyl}-1-methylpyridinium
CID 6010438

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide (CID 3242337) is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide is O=C(CCn1c(=O)sc2ccccc21)Nc1cccnc1.
What is the InChIKey of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is JBPIVNLRBIRAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(17-11-4-3-8-16-10-11)7-9-18-12-5-1-2-6-13(12)21-15(18)20/h1-6,8,10H,7,9H2,(H,17,19).
What are the key properties of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide?
3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 299.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 3242337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).