2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide

C15H12N2O2S — CID 705122

IUPAC2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-17-12-8-4-5-9-13(12)20-15(17)19/h1-9H,10H2,(H,16,18)
InChIKeyAARBGTGCWPKYNV-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.70
Rot. Bonds3

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

2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide (PubChem CID 705122) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
PubChem CID705122
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-17-12-8-4-5-9-13(12)20-15(17)19/h1-9H,10H2,(H,16,18)
InChIKeyAARBGTGCWPKYNV-UHFFFAOYSA-N
XLogP2.70
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
CID 22423087
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-(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
N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10567177
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
CID 7455295
N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 3647299
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 71983669
N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767797

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide?
The IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide (CID 705122) is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide is O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide?
The InChIKey is AARBGTGCWPKYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-17-12-8-4-5-9-13(12)20-15(17)19/h1-9H,10H2,(H,16,18).
What are the key properties of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide?
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide has a molecular weight of 284.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 705122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).