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

C17H14N2O2S2 — CID 555386

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide
SMILESO=C(CSc1nc2ccccc2s1)NCC(=O)c1ccccc1
InChIInChI=1S/C17H14N2O2S2/c20-14(12-6-2-1-3-7-12)10-18-16(21)11-22-17-19-13-8-4-5-9-15(13)23-17/h1-9H,10-11H2,(H,18,21)
InChIKeyJUASEWSUPVWVNK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.39
Rot. Bonds6

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

2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide (PubChem CID 555386) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide
PubChem CID555386
Molecular FormulaC17H14N2O2S2
Molecular Weight342.44 g/mol
Exact Mass342.05
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide
SMILESO=C(CSc1nc2ccccc2s1)NCC(=O)c1ccccc1
InChIInChI=1S/C17H14N2O2S2/c20-14(12-6-2-1-3-7-12)10-18-16(21)11-22-17-19-13-8-4-5-9-15(13)23-17/h1-9H,10-11H2,(H,18,21)
InChIKeyJUASEWSUPVWVNK-UHFFFAOYSA-N
XLogP3.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-tert-butylacetamide
CID 26456995
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2621082
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
3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 742353
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2707127
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65112025
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
CID 32577583
N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]phenyl]propanamide
CID 7465319

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide (CID 555386) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide is O=C(CSc1nc2ccccc2s1)NCC(=O)c1ccccc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide?
The InChIKey is JUASEWSUPVWVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c20-14(12-6-2-1-3-7-12)10-18-16(21)11-22-17-19-13-8-4-5-9-15(13)23-17/h1-9H,10-11H2,(H,18,21).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide has a molecular weight of 342.44 g/mol, XLogP of 3.39, 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-phenacylacetamide is sourced from PubChem (CID 555386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).