2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide

C12H14N2O3S2 — CID 79676474

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C12H14N2O3S2/c1-16-6-7-17-14-11(15)8-18-12-13-9-4-2-3-5-10(9)19-12/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyBBQXELZHHINUOT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.08
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide (PubChem CID 79676474) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide
PubChem CID79676474
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C12H14N2O3S2/c1-16-6-7-17-14-11(15)8-18-12-13-9-4-2-3-5-10(9)19-12/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyBBQXELZHHINUOT-UHFFFAOYSA-N
XLogP2.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
CID 32577583
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065953
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
CID 83202439
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
methyl 2-amino-4-(1,3-benzothiazol-2-ylsulfanyl)butanoate
CID 63034653
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]acetamide
CID 121048464
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-bromo-4-methoxyphenyl)acetamide
CID 3588623
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide (CID 79676474) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide is COCCONC(=O)CSc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide?
The InChIKey is BBQXELZHHINUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-16-6-7-17-14-11(15)8-18-12-13-9-4-2-3-5-10(9)19-12/h2-5H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 79676474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).