N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide

C11H12N2O2S — CID 649185

IUPACN-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide
SMILESCOc1ccc2sc(C)nc2c1NC(C)=O
InChIInChI=1S/C11H12N2O2S/c1-6(14)12-10-8(15-3)4-5-9-11(10)13-7(2)16-9/h4-5H,1-3H3,(H,12,14)
InChIKeyZOUMIJOGMCQKRP-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.57
Rot. Bonds2

About N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide

N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide (PubChem CID 649185) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide
PubChem CID649185
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide
SMILESCOc1ccc2sc(C)nc2c1NC(C)=O
InChIInChI=1S/C11H12N2O2S/c1-6(14)12-10-8(15-3)4-5-9-11(10)13-7(2)16-9/h4-5H,1-3H3,(H,12,14)
InChIKeyZOUMIJOGMCQKRP-UHFFFAOYSA-N
XLogP2.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide?
The IUPAC name of N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide (CID 649185) is N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide?
The canonical SMILES for N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide is COc1ccc2sc(C)nc2c1NC(C)=O.
What is the InChIKey of N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide?
The InChIKey is ZOUMIJOGMCQKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6(14)12-10-8(15-3)4-5-9-11(10)13-7(2)16-9/h4-5H,1-3H3,(H,12,14).
What are the key properties of N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide?
N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide has a molecular weight of 236.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-1,3-benzothiazol-4-yl)acetamide is sourced from PubChem (CID 649185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).