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

C16H14N2O2S2 — CID 32577583

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
SMILESO=C(CSc1nc2ccccc2s1)NOCc1ccccc1
InChIInChI=1S/C16H14N2O2S2/c19-15(18-20-10-12-6-2-1-3-7-12)11-21-16-17-13-8-4-5-9-14(13)22-16/h1-9H,10-11H2,(H,18,19)
InChIKeyFKOXPZDBGDWNGQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.64
Rot. Bonds6

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

2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide (PubChem CID 32577583) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
PubChem CID32577583
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
SMILESO=C(CSc1nc2ccccc2s1)NOCc1ccccc1
InChIInChI=1S/C16H14N2O2S2/c19-15(18-20-10-12-6-2-1-3-7-12)11-21-16-17-13-8-4-5-9-14(13)22-16/h1-9H,10-11H2,(H,18,19)
InChIKeyFKOXPZDBGDWNGQ-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide
CID 79676474
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
CID 83202439
calcium 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
CID 54604872
N-phenylmethoxy-2-phenylsulfanylacetamide
CID 47095881
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide
CID 555386
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(tert-butylcarbamoyl)acetamide
CID 2620979
N-[(2S)-1-aminopropan-2-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 120506197
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-tert-butylacetamide
CID 26456995
3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 64670866
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065953

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide (CID 32577583) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide is O=C(CSc1nc2ccccc2s1)NOCc1ccccc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide?
The InChIKey is FKOXPZDBGDWNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c19-15(18-20-10-12-6-2-1-3-7-12)11-21-16-17-13-8-4-5-9-14(13)22-16/h1-9H,10-11H2,(H,18,19).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide has a molecular weight of 330.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 32577583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).