2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide

C14H12N4OS — CID 162646119

IUPAC2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide
SMILESNC(C(=O)Nc1ccc2nnsc2c1)c1ccccc1
InChIInChI=1S/C14H12N4OS/c15-13(9-4-2-1-3-5-9)14(19)16-10-6-7-11-12(8-10)20-18-17-11/h1-8,13H,15H2,(H,16,19)
InChIKeyAXHFGOHDPLZGKH-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide

2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide (PubChem CID 162646119) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide
PubChem CID162646119
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide
SMILESNC(C(=O)Nc1ccc2nnsc2c1)c1ccccc1
InChIInChI=1S/C14H12N4OS/c15-13(9-4-2-1-3-5-9)14(19)16-10-6-7-11-12(8-10)20-18-17-11/h1-8,13H,15H2,(H,16,19)
InChIKeyAXHFGOHDPLZGKH-UHFFFAOYSA-N
XLogP2.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide (CID 162646119) is 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide is NC(C(=O)Nc1ccc2nnsc2c1)c1ccccc1.
What is the InChIKey of 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide?
The InChIKey is AXHFGOHDPLZGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-13(9-4-2-1-3-5-9)14(19)16-10-6-7-11-12(8-10)20-18-17-11/h1-8,13H,15H2,(H,16,19).
What are the key properties of 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide?
2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide has a molecular weight of 284.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,2,3-benzothiadiazol-6-yl)-2-phenylacetamide is sourced from PubChem (CID 162646119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).