2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide

C16H14N2OS2 — CID 687277

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
SMILESO=C(CSc1nc2ccccc2s1)NCc1ccccc1
InChIInChI=1S/C16H14N2OS2/c19-15(17-10-12-6-2-1-3-7-12)11-20-16-18-13-8-4-5-9-14(13)21-16/h1-9H,10-11H2,(H,17,19)
InChIKeyOYFYXXZTCUZKRR-UHFFFAOYSA-N
MW314.44 g/mol
LogP3.70
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide (PubChem CID 687277) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
PubChem CID687277
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
SMILESO=C(CSc1nc2ccccc2s1)NCc1ccccc1
InChIInChI=1S/C16H14N2OS2/c19-15(17-10-12-6-2-1-3-7-12)11-20-16-18-13-8-4-5-9-14(13)21-16/h1-9H,10-11H2,(H,17,19)
InChIKeyOYFYXXZTCUZKRR-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2707127
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55732021
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide
CID 555386
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
CID 32577583
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065953
3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173601
[(1S)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 7865362
calcium 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
CID 54604872
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-hydroxyhexyl)acetamide
CID 103919016
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 90569421
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-tert-butylacetamide
CID 26456995
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(pyridin-4-ylmethyl)butanamide
CID 9113227

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide (CID 687277) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide is O=C(CSc1nc2ccccc2s1)NCc1ccccc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide?
The InChIKey is OYFYXXZTCUZKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c19-15(17-10-12-6-2-1-3-7-12)11-20-16-18-13-8-4-5-9-14(13)21-16/h1-9H,10-11H2,(H,17,19).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide has a molecular weight of 314.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide is sourced from PubChem (CID 687277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).