N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide

C13H12N4OS — CID 2373971

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc2ccccc2s1
InChIInChI=1S/C13H12N4OS/c1-8-7-12(14-9(2)18)17(16-8)13-15-10-5-3-4-6-11(10)19-13/h3-7H,1-2H3,(H,14,18)
InChIKeyAIVOSIFHEZWYMA-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.75
Rot. Bonds2

About N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 2373971) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID2373971
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc2ccccc2s1
InChIInChI=1S/C13H12N4OS/c1-8-7-12(14-9(2)18)17(16-8)13-15-10-5-3-4-6-11(10)19-13/h3-7H,1-2H3,(H,14,18)
InChIKeyAIVOSIFHEZWYMA-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-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-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 2373971) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)nn1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is AIVOSIFHEZWYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-7-12(14-9(2)18)17(16-8)13-15-10-5-3-4-6-11(10)19-13/h3-7H,1-2H3,(H,14,18).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 272.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 2373971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).