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

C9H9N3OS — CID 933563

IUPACN-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(=O)Nc1c(C)ccc2nsnc12
InChIInChI=1S/C9H9N3OS/c1-5-3-4-7-9(12-14-11-7)8(5)10-6(2)13/h3-4H,1-2H3,(H,10,13)
InChIKeyYXYMSMSVXNBMRW-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.96
Rot. Bonds1

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

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 933563) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID933563
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(=O)Nc1c(C)ccc2nsnc12
InChIInChI=1S/C9H9N3OS/c1-5-3-4-7-9(12-14-11-7)8(5)10-6(2)13/h3-4H,1-2H3,(H,10,13)
InChIKeyYXYMSMSVXNBMRW-UHFFFAOYSA-N
XLogP1.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-5-methylbenzo-2,1,3-benzothiadiazole
CID 960719
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-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-(2,1,3-benzoselenadiazol-4-yl)acetamide
CID 3089118

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (CID 933563) is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is CC(=O)Nc1c(C)ccc2nsnc12.
What is the InChIKey of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is YXYMSMSVXNBMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-5-3-4-7-9(12-14-11-7)8(5)10-6(2)13/h3-4H,1-2H3,(H,10,13).
What are the key properties of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 207.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 933563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).