N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide

C10H11N3OS — CID 816964

IUPACN-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide
SMILESCC(=O)Nc1cc2nc(N)sc2cc1C
InChIInChI=1S/C10H11N3OS/c1-5-3-9-8(13-10(11)15-9)4-7(5)12-6(2)14/h3-4H,1-2H3,(H2,11,13)(H,12,14)
InChIKeyDUWIACCTNKYBNV-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.15
Rot. Bonds1

About N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide

N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide (PubChem CID 816964) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide
PubChem CID816964
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide
SMILESCC(=O)Nc1cc2nc(N)sc2cc1C
InChIInChI=1S/C10H11N3OS/c1-5-3-9-8(13-10(11)15-9)4-7(5)12-6(2)14/h3-4H,1-2H3,(H2,11,13)(H,12,14)
InChIKeyDUWIACCTNKYBNV-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide?
The IUPAC name of N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide (CID 816964) is N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide.
What is the SMILES notation for N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide?
The canonical SMILES for N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide is CC(=O)Nc1cc2nc(N)sc2cc1C.
What is the InChIKey of N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide?
The InChIKey is DUWIACCTNKYBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-5-3-9-8(13-10(11)15-9)4-7(5)12-6(2)14/h3-4H,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide?
N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide has a molecular weight of 221.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methyl-1,3-benzothiazol-5-yl)acetamide is sourced from PubChem (CID 816964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).