2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide

C10H8ClF3N4OS — CID 79811704

IUPAC2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1c(Cl)ccc2nsnc12)C(F)(F)F
InChIInChI=1S/C10H8ClF3N4OS/c1-9(15,10(12,13)14)8(19)16-6-4(11)2-3-5-7(6)18-20-17-5/h2-3H,15H2,1H3,(H,16,19)
InChIKeyHYXSTXPMFHBZBI-UHFFFAOYSA-N
MW324.72 g/mol
LogP2.56
Rot. Bonds2

About 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811704) has the molecular formula C10H8ClF3N4OS and a molecular weight of 324.72 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811704
Molecular FormulaC10H8ClF3N4OS
Molecular Weight324.72 g/mol
Exact Mass324.01
IUPAC Name2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1c(Cl)ccc2nsnc12)C(F)(F)F
InChIInChI=1S/C10H8ClF3N4OS/c1-9(15,10(12,13)14)8(19)16-6-4(11)2-3-5-7(6)18-20-17-5/h2-3H,15H2,1H3,(H,16,19)
InChIKeyHYXSTXPMFHBZBI-UHFFFAOYSA-N
XLogP2.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79811704) is 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1c(Cl)ccc2nsnc12)C(F)(F)F.
What is the InChIKey of 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is HYXSTXPMFHBZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4OS/c1-9(15,10(12,13)14)8(19)16-6-4(11)2-3-5-7(6)18-20-17-5/h2-3H,15H2,1H3,(H,16,19).
What are the key properties of 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 324.72 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).