2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H8ClF3N4OS — CID 65473324

IUPAC2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1c(Cl)ccc2nsnc12)NCC(F)(F)F
InChIInChI=1S/C10H8ClF3N4OS/c11-5-1-2-6-9(18-20-17-6)8(5)15-3-7(19)16-4-10(12,13)14/h1-2,15H,3-4H2,(H,16,19)
InChIKeyKMEBWTQCKAEOSL-UHFFFAOYSA-N
MW324.72 g/mol
LogP2.44
Rot. Bonds4

About 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65473324) has the molecular formula C10H8ClF3N4OS and a molecular weight of 324.72 g/mol. Its IUPAC name is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65473324
Molecular FormulaC10H8ClF3N4OS
Molecular Weight324.72 g/mol
Exact Mass324.01
IUPAC Name2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1c(Cl)ccc2nsnc12)NCC(F)(F)F
InChIInChI=1S/C10H8ClF3N4OS/c11-5-1-2-6-9(18-20-17-6)8(5)15-3-7(19)16-4-10(12,13)14/h1-2,15H,3-4H2,(H,16,19)
InChIKeyKMEBWTQCKAEOSL-UHFFFAOYSA-N
XLogP2.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 65473324) is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1c(Cl)ccc2nsnc12)NCC(F)(F)F.
What is the InChIKey of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KMEBWTQCKAEOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4OS/c11-5-1-2-6-9(18-20-17-6)8(5)15-3-7(19)16-4-10(12,13)14/h1-2,15H,3-4H2,(H,16,19).
What are the key properties of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 324.72 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65473324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).