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

C14H11N3O2S — CID 22423087

IUPAC2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1cccnc1
InChIInChI=1S/C14H11N3O2S/c18-13(16-10-4-3-7-15-8-10)9-17-11-5-1-2-6-12(11)20-14(17)19/h1-8H,9H2,(H,16,18)
InChIKeyKKDDIOWEMBJZRB-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.10
Rot. Bonds3

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

2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide (PubChem CID 22423087) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
PubChem CID22423087
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1cccnc1
InChIInChI=1S/C14H11N3O2S/c18-13(16-10-4-3-7-15-8-10)9-17-11-5-1-2-6-12(11)20-14(17)19/h1-8H,9H2,(H,16,18)
InChIKeyKKDDIOWEMBJZRB-UHFFFAOYSA-N
XLogP2.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429
N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10567177
N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1081529
N-(2,4-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1096308
N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 990869
2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide
CID 14221224
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 71983669
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
CID 7455295

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide (CID 22423087) is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide is O=C(Cn1c(=O)sc2ccccc21)Nc1cccnc1.
What is the InChIKey of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide?
The InChIKey is KKDDIOWEMBJZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13(16-10-4-3-7-15-8-10)9-17-11-5-1-2-6-12(11)20-14(17)19/h1-8H,9H2,(H,16,18).
What are the key properties of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide?
2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide has a molecular weight of 285.33 g/mol, XLogP of 2.10, 3 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-3-ylacetamide is sourced from PubChem (CID 22423087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).