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

C11H9ClF3N3OS — CID 79797794

IUPAC2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1c(Cl)ccc2scnc12)C(F)(F)F
InChIInChI=1S/C11H9ClF3N3OS/c1-10(16,11(13,14)15)9(19)18-7-5(12)2-3-6-8(7)17-4-20-6/h2-4H,16H2,1H3,(H,18,19)
InChIKeyJGGCOSCYCLEMOL-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.17
Rot. Bonds2

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

2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79797794) has the molecular formula C11H9ClF3N3OS and a molecular weight of 323.73 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79797794
Molecular FormulaC11H9ClF3N3OS
Molecular Weight323.73 g/mol
Exact Mass323.01
IUPAC Name2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1c(Cl)ccc2scnc12)C(F)(F)F
InChIInChI=1S/C11H9ClF3N3OS/c1-10(16,11(13,14)15)9(19)18-7-5(12)2-3-6-8(7)17-4-20-6/h2-4H,16H2,1H3,(H,18,19)
InChIKeyJGGCOSCYCLEMOL-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

5-Chloro-4-benzothiazolamine
CID 21486281
N-(5-chloro-1,3-benzothiazol-4-yl)-2-methoxy-2-methylpropanamide
CID 103028826
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
CID 40154518
5-chloro-N-[(2,5-difluorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674713
5-chloro-N-[(2,4-difluorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674737
5-chloro-N-[(2,6-difluorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674749
5-chloro-N-[(3,4-difluorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674750
5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674787
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674793
5-chloro-N-[1-(2,4-difluorophenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674794
5-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674831
5-chloro-N-[1-(2-fluorophenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674844

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79797794) is 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1c(Cl)ccc2scnc12)C(F)(F)F.
What is the InChIKey of 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is JGGCOSCYCLEMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3OS/c1-10(16,11(13,14)15)9(19)18-7-5(12)2-3-6-8(7)17-4-20-6/h2-4H,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 323.73 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79797794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).