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

C10H11N3OS — CID 842936

IUPACN-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(C)ccc2nsnc12
InChIInChI=1S/C10H11N3OS/c1-3-8(14)11-9-6(2)4-5-7-10(9)13-15-12-7/h4-5H,3H2,1-2H3,(H,11,14)
InChIKeyDZUZDQOMMILYAW-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.35
Rot. Bonds2

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

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide (PubChem CID 842936) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
PubChem CID842936
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(C)ccc2nsnc12
InChIInChI=1S/C10H11N3OS/c1-3-8(14)11-9-6(2)4-5-7-10(9)13-15-12-7/h4-5H,3H2,1-2H3,(H,11,14)
InChIKeyDZUZDQOMMILYAW-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 807146
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

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
The IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide (CID 842936) is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide.
What is the SMILES notation for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
The canonical SMILES for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide is CCC(=O)Nc1c(C)ccc2nsnc12.
What is the InChIKey of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
The InChIKey is DZUZDQOMMILYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-3-8(14)11-9-6(2)4-5-7-10(9)13-15-12-7/h4-5H,3H2,1-2H3,(H,11,14).
What are the key properties of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide has a molecular weight of 221.28 g/mol, XLogP of 2.35, 2 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)propanamide is sourced from PubChem (CID 842936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).