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

C23H18F4N4O2S — CID 155146719

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C23H18F4N4O2S/c1-11-17(7-14(10-29-11)13-3-6-19-20(8-13)34-22(28)31-19)21(32)30-12(2)16-9-15(4-5-18(16)24)33-23(25,26)27/h3-10,12H,1-2H3,(H2,28,31)(H,30,32)
InChIKeyUTRUQBGHYQLNHY-UHFFFAOYSA-N
MW490.48 g/mol
LogP5.78
Rot. Bonds5

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

5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide (PubChem CID 155146719) has the molecular formula C23H18F4N4O2S and a molecular weight of 490.48 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
PubChem CID155146719
Molecular FormulaC23H18F4N4O2S
Molecular Weight490.48 g/mol
Exact Mass490.11
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C23H18F4N4O2S/c1-11-17(7-14(10-29-11)13-3-6-19-20(8-13)34-22(28)31-19)21(32)30-12(2)16-9-15(4-5-18(16)24)33-23(25,26)27/h3-10,12H,1-2H3,(H2,28,31)(H,30,32)
InChIKeyUTRUQBGHYQLNHY-UHFFFAOYSA-N
XLogP5.78
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.48
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-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)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide (CID 155146719) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide is Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide?
The InChIKey is UTRUQBGHYQLNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2S/c1-11-17(7-14(10-29-11)13-3-6-19-20(8-13)34-22(28)31-19)21(32)30-12(2)16-9-15(4-5-18(16)24)33-23(25,26)27/h3-10,12H,1-2H3,(H2,28,31)(H,30,32).
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide has a molecular weight of 490.48 g/mol, XLogP of 5.78, 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)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155146719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).