N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide

C12H13N3O2S — CID 646206

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1
InChIInChI=1S/C12H13N3O2S/c1-3-11(17)15-12-14-9-5-4-8(13-7(2)16)6-10(9)18-12/h4-6H,3H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyXAZAVEARZSPUPR-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.60
Rot. Bonds3

About N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide

N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide (PubChem CID 646206) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)propanamide
PubChem CID646206
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1
InChIInChI=1S/C12H13N3O2S/c1-3-11(17)15-12-14-9-5-4-8(13-7(2)16)6-10(9)18-12/h4-6H,3H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyXAZAVEARZSPUPR-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide 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-(6-acetamido-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide (CID 646206) is N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide is CCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is XAZAVEARZSPUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-11(17)15-12-14-9-5-4-8(13-7(2)16)6-10(9)18-12/h4-6H,3H2,1-2H3,(H,13,16)(H,14,15,17).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 263.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 646206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).