2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide

C11H13N3OS — CID 720799

IUPAC2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
SMILESCc1ccc2nsnc2c1NC(=O)C(C)C
InChIInChI=1S/C11H13N3OS/c1-6(2)11(15)12-9-7(3)4-5-8-10(9)14-16-13-8/h4-6H,1-3H3,(H,12,15)
InChIKeyQSDWCFZWVBSQFF-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.59
Rot. Bonds2

About 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide

2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide (PubChem CID 720799) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
PubChem CID720799
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
SMILESCc1ccc2nsnc2c1NC(=O)C(C)C
InChIInChI=1S/C11H13N3OS/c1-6(2)11(15)12-9-7(3)4-5-8-10(9)14-16-13-8/h4-6H,1-3H3,(H,12,15)
InChIKeyQSDWCFZWVBSQFF-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-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

Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 4580516
2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 4993445
N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
CID 676138
N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 2986422
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 654048
2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide
CID 952244
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 1132513
N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)butanamide
CID 5183917
Methyl 7-methyl-2,1,3-benzothiadiazol-4-ylcarbamate
CID 605807
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 933563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide (CID 720799) is 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide is Cc1ccc2nsnc2c1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
The InChIKey is QSDWCFZWVBSQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6(2)11(15)12-9-7(3)4-5-8-10(9)14-16-13-8/h4-6H,1-3H3,(H,12,15).
What are the key properties of 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide has a molecular weight of 235.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide is sourced from PubChem (CID 720799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).