N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide

C10H10N2O2S — CID 655817

IUPACN-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2sc(NC(C)=O)nc2c1
InChIInChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-5-7(14-2)3-4-9(8)15-10/h3-5H,1-2H3,(H,11,12,13)
InChIKeyZKNFVQNHIHCHEW-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.26
Rot. Bonds2

About N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide

N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 655817) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID655817
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC NameN-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2sc(NC(C)=O)nc2c1
InChIInChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-5-7(14-2)3-4-9(8)15-10/h3-5H,1-2H3,(H,11,12,13)
InChIKeyZKNFVQNHIHCHEW-UHFFFAOYSA-N
XLogP2.26
TPSA51.22 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 655817) is N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2sc(NC(C)=O)nc2c1.
What is the InChIKey of N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZKNFVQNHIHCHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-5-7(14-2)3-4-9(8)15-10/h3-5H,1-2H3,(H,11,12,13).
What are the key properties of N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide?
N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 222.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 655817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).