2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide

C10H10N2O2S — CID 59473847

IUPAC2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1ccc2c(c1)sc(=O)n2CC(N)=O
InChIInChI=1S/C10H10N2O2S/c1-6-2-3-7-8(4-6)15-10(14)12(7)5-9(11)13/h2-4H,5H2,1H3,(H2,11,13)
InChIKeyUONOCPLMQYPIJD-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.86
Rot. Bonds2

About 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide

2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 59473847) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID59473847
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1ccc2c(c1)sc(=O)n2CC(N)=O
InChIInChI=1S/C10H10N2O2S/c1-6-2-3-7-8(4-6)15-10(14)12(7)5-9(11)13/h2-4H,5H2,1H3,(H2,11,13)
InChIKeyUONOCPLMQYPIJD-UHFFFAOYSA-N
XLogP0.86
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-6-methyl-1,3-benzothiazol-2-one
CID 54248181
(3,5-dimethylphenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 3371314
5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one
CID 21278892
2-(4-methylphenoxy)ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 4280363
butyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetate
CID 4191622
2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)acetic acid
CID 14938789
pentyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetate
CID 3356252
methyl 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)acetate;hydrobromide
CID 71778886
2-(2-oxo-6-phenoxy-1,3-benzothiazol-3-yl)acetic acid
CID 13097111
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100537338
N,N'-bis(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)nonanediamide
CID 4051538
ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
CID 14221219

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 59473847) is 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide is Cc1ccc2c(c1)sc(=O)n2CC(N)=O.
What is the InChIKey of 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is UONOCPLMQYPIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6-2-3-7-8(4-6)15-10(14)12(7)5-9(11)13/h2-4H,5H2,1H3,(H2,11,13).
What are the key properties of 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide?
2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 222.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 59473847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).