5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

C100H85ClF12N16O16S4 — CID 165010411

About 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 165010411) has the molecular formula C100H85ClF12N16O16S4 and a molecular weight of 2158.57 g/mol. Its IUPAC name is 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• PubChem CID: 165010411
• Molecular Formula: C100H85ClF12N16O16S4
• Molecular Weight: 2158.57 g/mol
• Exact Mass: 2156.47
• IUPAC Name: 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• SMILES: CC(=O)Cl.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1C(=O)NC(C)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1C(=O)N[C@@H](C)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1C(=O)N[C@H](C)c1ccccc1OC(F)(F)F
• InChI: InChI=1S/3C25H21F3N4O4S.C23H19F3N4O3S.C2H3ClO/c3*1-13(17-6-4-5-7-20(17)36-25(26,27)28)30-22(34)18-10-16(12-29-23(18)35-3)15-8-9-19-21(11-15)37-24(32-19)31-14(2)33;1-12(15-5-3-4-6-18(15)33-23(24,25)26)29-20(31)16-9-14(11-28-21(16)32-2)13-7-8-17-19(10-13)34-22(27)30-17;1-2(3)4/h3*4-13H,1-3H3,(H,30,34)(H,31,32,33);3-12H,1-2H3,(H2,27,30)(H,29,31);1H3/t2*13-;;;/m10.../s1
• InChIKey: JPRICJWKLASFKN-DVJSGNNJSA-N
• XLogP: 23.26
• TPSA: 423.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2158.57
LogP ≤ 5	23.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 165010411) is 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is CC(=O)Cl.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1C(=O)NC(C)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1C(=O)N[C@@H](C)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1C(=O)N[C@H](C)c1ccccc1OC(F)(F)F.

What is the InChIKey of 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The InChIKey is JPRICJWKLASFKN-DVJSGNNJSA-N. The full InChI is InChI=1S/3C25H21F3N4O4S.C23H19F3N4O3S.C2H3ClO/c3*1-13(17-6-4-5-7-20(17)36-25(26,27)28)30-22(34)18-10-16(12-29-23(18)35-3)15-8-9-19-21(11-15)37-24(32-19)31-14(2)33;1-12(15-5-3-4-6-18(15)33-23(24,25)26)29-20(31)16-9-14(11-28-21(16)32-2)13-7-8-17-19(10-13)34-22(27)30-17;1-2(3)4/h3*4-13H,1-3H3,(H,30,34)(H,31,32,33);3-12H,1-2H3,(H2,27,30)(H,29,31);1H3/t2*13-;;;/m10.../s1.

What are the key properties of 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 2158.57 g/mol, XLogP of 23.26, 27 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 165010411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).