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

C8H8N4OS — CID 110470032

IUPAC2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESNCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C8H8N4OS/c9-4-7(13)10-5-2-1-3-6-8(5)12-14-11-6/h1-3H,4,9H2,(H,10,13)
InChIKeyNWFWDUAFKOTFGY-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.59
Rot. Bonds2

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

2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 110470032) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID110470032
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESNCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C8H8N4OS/c9-4-7(13)10-5-2-1-3-6-8(5)12-14-11-6/h1-3H,4,9H2,(H,10,13)
InChIKeyNWFWDUAFKOTFGY-UHFFFAOYSA-N
XLogP0.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 55103464
2-(4-aminophenoxy)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 61027525
2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 65249909
2-(3-amino-2-methylpropyl)sulfanyl-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66227687
2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66219437
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-phenylacetate
CID 7874873
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750717
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846830
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282246
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 16523535
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-methylbenzoate
CID 7696387
N-(2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 20931137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide (CID 110470032) is 2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide is NCC(=O)Nc1cccc2nsnc12.
What is the InChIKey of 2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is NWFWDUAFKOTFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-4-7(13)10-5-2-1-3-6-8(5)12-14-11-6/h1-3H,4,9H2,(H,10,13).
What are the key properties of 2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 208.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 110470032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).