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

C12H15N3OS — CID 2992692

IUPAC2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
SMILESCc1ccc2nsnc2c1NC(=O)C(C)(C)C
InChIInChI=1S/C12H15N3OS/c1-7-5-6-8-10(15-17-14-8)9(7)13-11(16)12(2,3)4/h5-6H,1-4H3,(H,13,16)
InChIKeyJAMPXRFTGUQYND-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.98
Rot. Bonds1

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

2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide (PubChem CID 2992692) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
PubChem CID2992692
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
SMILESCc1ccc2nsnc2c1NC(=O)C(C)(C)C
InChIInChI=1S/C12H15N3OS/c1-7-5-6-8-10(15-17-14-8)9(7)13-11(16)12(2,3)4/h5-6H,1-4H3,(H,13,16)
InChIKeyJAMPXRFTGUQYND-UHFFFAOYSA-N
XLogP2.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.98
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-(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-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 933563
N-(2,1,3-benzoselenadiazol-4-yl)acetamide
CID 3089118
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 842936

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide (CID 2992692) is 2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide is Cc1ccc2nsnc2c1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
The InChIKey is JAMPXRFTGUQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-5-6-8-10(15-17-14-8)9(7)13-11(16)12(2,3)4/h5-6H,1-4H3,(H,13,16).
What are the key properties of 2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide?
2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide has a molecular weight of 249.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide is sourced from PubChem (CID 2992692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).