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

C10H10N2OS — CID 596481

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C10H10N2OS/c1-6(13)11-8-3-4-9-10(5-8)14-7(2)12-9/h3-5H,1-2H3,(H,11,13)
InChIKeyXLYNOVXELOHZDY-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.56
Rot. Bonds1

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

N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 596481) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID596481
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C10H10N2OS/c1-6(13)11-8-3-4-9-10(5-8)14-7(2)12-9/h3-5H,1-2H3,(H,11,13)
InChIKeyXLYNOVXELOHZDY-UHFFFAOYSA-N
XLogP2.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 596481) is N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is CC(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is XLYNOVXELOHZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6(13)11-8-3-4-9-10(5-8)14-7(2)12-9/h3-5H,1-2H3,(H,11,13).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 206.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 596481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).