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

C11H13N5OS — CID 65249909

IUPAC2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESNC1CN(CC(=O)Nc2cccc3nsnc23)C1
InChIInChI=1S/C11H13N5OS/c12-7-4-16(5-7)6-10(17)13-8-2-1-3-9-11(8)15-18-14-9/h1-3,7H,4-6,12H2,(H,13,17)
InChIKeyQBDJPLRJJSBDTA-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.27
Rot. Bonds3

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

2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 65249909) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID65249909
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESNC1CN(CC(=O)Nc2cccc3nsnc23)C1
InChIInChI=1S/C11H13N5OS/c12-7-4-16(5-7)6-10(17)13-8-2-1-3-9-11(8)15-18-14-9/h1-3,7H,4-6,12H2,(H,13,17)
InChIKeyQBDJPLRJJSBDTA-UHFFFAOYSA-N
XLogP0.27
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282246
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170643
2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 46809920
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801631
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149004
N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 4844877
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 17148996
N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684776
2-[8-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-N-(2-methylphenyl)acetamide
CID 23403523
methyl 2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 46604969

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide (CID 65249909) is 2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide is NC1CN(CC(=O)Nc2cccc3nsnc23)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is QBDJPLRJJSBDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c12-7-4-16(5-7)6-10(17)13-8-2-1-3-9-11(8)15-18-14-9/h1-3,7H,4-6,12H2,(H,13,17).
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 263.33 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 65249909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).