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

C11H12N4O2S — CID 63282246

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESO=C(CN1CC(O)C1)Nc1cccc2nsnc12
InChIInChI=1S/C11H12N4O2S/c16-7-4-15(5-7)6-10(17)12-8-2-1-3-9-11(8)14-18-13-9/h1-3,7,16H,4-6H2,(H,12,17)
InChIKeyOTQODDRALCCNJM-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.31
Rot. Bonds3

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

N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide (PubChem CID 63282246) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
PubChem CID63282246
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESO=C(CN1CC(O)C1)Nc1cccc2nsnc12
InChIInChI=1S/C11H12N4O2S/c16-7-4-15(5-7)6-10(17)12-8-2-1-3-9-11(8)14-18-13-9/h1-3,7,16H,4-6H2,(H,12,17)
InChIKeyOTQODDRALCCNJM-UHFFFAOYSA-N
XLogP0.31
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 65249909
2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 46809920
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170643
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
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
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
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801206

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide (CID 63282246) is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide is O=C(CN1CC(O)C1)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The InChIKey is OTQODDRALCCNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-7-4-15(5-7)6-10(17)12-8-2-1-3-9-11(8)14-18-13-9/h1-3,7,16H,4-6H2,(H,12,17).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide has a molecular weight of 264.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide is sourced from PubChem (CID 63282246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).