5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

C23H19F3N4O2S — CID 155146666

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1
InChIInChI=1S/C23H19F3N4O2S/c1-12-17(14-7-8-18-20(10-14)33-22(27)30-18)9-15(11-28-12)21(31)29-13(2)16-5-3-4-6-19(16)32-23(24,25)26/h3-11,13H,1-2H3,(H2,27,30)(H,29,31)
InChIKeyKULKLWCEFUIYHE-UHFFFAOYSA-N
MW472.49 g/mol
LogP5.64
Rot. Bonds5

About 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 155146666) has the molecular formula C23H19F3N4O2S and a molecular weight of 472.49 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID155146666
Molecular FormulaC23H19F3N4O2S
Molecular Weight472.49 g/mol
Exact Mass472.12
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1
InChIInChI=1S/C23H19F3N4O2S/c1-12-17(14-7-8-18-20(10-14)33-22(27)30-18)9-15(11-28-12)21(31)29-13(2)16-5-3-4-6-19(16)32-23(24,25)26/h3-11,13H,1-2H3,(H2,27,30)(H,29,31)
InChIKeyKULKLWCEFUIYHE-UHFFFAOYSA-N
XLogP5.64
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.49
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide 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 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 155146666) is 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is Cc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is KULKLWCEFUIYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2S/c1-12-17(14-7-8-18-20(10-14)33-22(27)30-18)9-15(11-28-12)21(31)29-13(2)16-5-3-4-6-19(16)32-23(24,25)26/h3-11,13H,1-2H3,(H2,27,30)(H,29,31).
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 472.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 155146666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).