N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide

C10H11N3OS — CID 654048

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc2nsnc12
InChIInChI=1S/C10H11N3OS/c1-6(2)10(14)11-7-4-3-5-8-9(7)13-15-12-8/h3-6H,1-2H3,(H,11,14)
InChIKeyIRGPRNFQJUFQQM-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.29
Rot. Bonds2

About N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide

N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide (PubChem CID 654048) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
PubChem CID654048
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc2nsnc12
InChIInChI=1S/C10H11N3OS/c1-6(2)10(14)11-7-4-3-5-8-9(7)13-15-12-8/h3-6H,1-2H3,(H,11,14)
InChIKeyIRGPRNFQJUFQQM-UHFFFAOYSA-N
XLogP2.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
1-(2,1,3-Benzothiadiazol-4-yl)-3-phenylurea
CID 748227
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
CID 676138
N-(benzo[c][1,2,5]thiadiazol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 661408
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 1132513
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321
2-methyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2880864
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-3-methylbutanamide
CID 6621516
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 933563
N-(2,1,3-benzoselenadiazol-4-yl)acetamide
CID 3089118

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide (CID 654048) is N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide is CC(C)C(=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
The InChIKey is IRGPRNFQJUFQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6(2)10(14)11-7-4-3-5-8-9(7)13-15-12-8/h3-6H,1-2H3,(H,11,14).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide has a molecular weight of 221.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide is sourced from PubChem (CID 654048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).