2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide

C11H12N2O2S — CID 86084701

IUPAC2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1ccc2ncsc2c1
InChIInChI=1S/C11H12N2O2S/c1-13(15-2)11(14)6-8-3-4-9-10(5-8)16-7-12-9/h3-5,7H,6H2,1-2H3
InChIKeyZXCLWKQKRHIEQI-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.86
Rot. Bonds3

About 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide

2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide (PubChem CID 86084701) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide
PubChem CID86084701
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1ccc2ncsc2c1
InChIInChI=1S/C11H12N2O2S/c1-13(15-2)11(14)6-8-3-4-9-10(5-8)16-7-12-9/h3-5,7H,6H2,1-2H3
InChIKeyZXCLWKQKRHIEQI-UHFFFAOYSA-N
XLogP1.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
CID 89040835
2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
CID 87253905
2-[4-amino-3-(aminomethyl)phenyl]-N-methoxy-N-methylacetamide
CID 174908949
N-[(4-bromophenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 31145157
3-pyridin-4-ylpropyl 2-(1,3-benzothiazol-6-yl)acetate
CID 166194625
2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
CID 19043704
1,3-benzothiazol-6-ylmethanamine;hydrochloride
CID 133063605
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17414612
ethyl 5-[[[2-(1,3-benzothiazol-6-yl)acetyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 166315966
3-(1,3-benzothiazol-6-yloxy)propanoic acid
CID 82189785
2-(3-benzylphenyl)-N-methoxy-N-methylacetamide
CID 131737866
N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide
CID 126580516

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide (CID 86084701) is 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide is CON(C)C(=O)Cc1ccc2ncsc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide?
The InChIKey is ZXCLWKQKRHIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-13(15-2)11(14)6-8-3-4-9-10(5-8)16-7-12-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide?
2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide has a molecular weight of 236.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 86084701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).