N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide

C12H13N3O2S — CID 71732426

IUPACN-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)c2nc(C)sc2c1
InChIInChI=1S/C12H13N3O2S/c1-6(16)13-9-4-10(14-7(2)17)12-11(5-9)18-8(3)15-12/h4-5H,1-3H3,(H,13,16)(H,14,17)
InChIKeyHRBSWICWXQNDBR-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.52
Rot. Bonds2

About N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide

N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 71732426) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID71732426
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)c2nc(C)sc2c1
InChIInChI=1S/C12H13N3O2S/c1-6(16)13-9-4-10(14-7(2)17)12-11(5-9)18-8(3)15-12/h4-5H,1-3H3,(H,13,16)(H,14,17)
InChIKeyHRBSWICWXQNDBR-UHFFFAOYSA-N
XLogP2.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 71732426) is N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide is CC(=O)Nc1cc(NC(C)=O)c2nc(C)sc2c1.
What is the InChIKey of N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is HRBSWICWXQNDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-6(16)13-9-4-10(14-7(2)17)12-11(5-9)18-8(3)15-12/h4-5H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide?
N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 71732426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).