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

C14H16N2O2S2 — CID 83202439

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
SMILESO=C(CSc1nc2ccccc2s1)NOC1CCCC1
InChIInChI=1S/C14H16N2O2S2/c17-13(16-18-10-5-1-2-6-10)9-19-14-15-11-7-3-4-8-12(11)20-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,17)
InChIKeyMQNYUQHRTOIAAN-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.38
Rot. Bonds5

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

2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide (PubChem CID 83202439) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
PubChem CID83202439
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
SMILESO=C(CSc1nc2ccccc2s1)NOC1CCCC1
InChIInChI=1S/C14H16N2O2S2/c17-13(16-18-10-5-1-2-6-10)9-19-14-15-11-7-3-4-8-12(11)20-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,17)
InChIKeyMQNYUQHRTOIAAN-UHFFFAOYSA-N
XLogP3.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.38
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-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956958
N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 119590714
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
CID 32577583
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide
CID 79676474
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 119574235
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
CID 43388703
cis-(1R,3S)-3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677438
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-cyclopropylpyrimidin-4-yl)methyl]acetamide
CID 122263862
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]acetamide
CID 4026581
(2S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidine-2-carboxamide
CID 9006524
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257190
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-cyclopentyloxyacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide (CID 83202439) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide is O=C(CSc1nc2ccccc2s1)NOC1CCCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide?
The InChIKey is MQNYUQHRTOIAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-13(16-18-10-5-1-2-6-10)9-19-14-15-11-7-3-4-8-12(11)20-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,17).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide has a molecular weight of 308.43 g/mol, XLogP of 3.38, 5 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-cyclopentyloxyacetamide is sourced from PubChem (CID 83202439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).