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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)

C63H50F16N10O7S2 — CID 164955391

IUPAC5-(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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)
SMILESCC(N)c1cc(OC(F)(F)F)ccc1F.CC(N)c1cc(OC(F)(F)F)ccc1F.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.N#Cc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C23H18F4N4O2S.C14H11N3O2S.2C9H9F4NO.C8H3F4NO/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;1-7-10(13(18)19)4-9(6-16-7)8-2-3-11-12(5-8)20-14(15)17-11;2*1-5(14)7-4-6(2-3-8(7)10)15-9(11,12)13;9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h3-10,12H,1-2H3,(H2,28,31)(H,30,32);2-6H,1H3,(H2,15,17)(H,18,19);2*2-5H,14H2,1H3;1-3H
InChIKeyBCHRCPNNTDTXNC-UHFFFAOYSA-N
MW1427.26 g/mol
LogP16.81
Rot. Bonds12

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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)

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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine) (PubChem CID 164955391) has the molecular formula C63H50F16N10O7S2 and a molecular weight of 1427.26 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;5-(2-amino-1,3-benzothiazol-6-yl)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine).

Molecular Properties

Compound Name5-(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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)
PubChem CID164955391
Molecular FormulaC63H50F16N10O7S2
Molecular Weight1427.26 g/mol
Exact Mass1426.30
IUPAC Name5-(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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)
SMILESCC(N)c1cc(OC(F)(F)F)ccc1F.CC(N)c1cc(OC(F)(F)F)ccc1F.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.N#Cc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C23H18F4N4O2S.C14H11N3O2S.2C9H9F4NO.C8H3F4NO/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;1-7-10(13(18)19)4-9(6-16-7)8-2-3-11-12(5-8)20-14(15)17-11;2*1-5(14)7-4-6(2-3-8(7)10)15-9(11,12)13;9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h3-10,12H,1-2H3,(H2,28,31)(H,30,32);2-6H,1H3,(H2,15,17)(H,18,19);2*2-5H,14H2,1H3;1-3H
InChIKeyBCHRCPNNTDTXNC-UHFFFAOYSA-N
XLogP16.81
TPSA282.75 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001427.26
LogP ≤ 516.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine) with MolForge

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Related Compounds

5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146648
5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146650
5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 155146663
5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146666
2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146711
5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
CID 155146719
6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146733
5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146734
5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146752
5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 155146827
5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146840
5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146868

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;5-(2-amino-1,3-benzothiazol-6-yl)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)?
The IUPAC name 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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine) (CID 164955391) is 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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine).
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;5-(2-amino-1,3-benzothiazol-6-yl)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)?
The canonical SMILES for 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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine) is CC(N)c1cc(OC(F)(F)F)ccc1F.CC(N)c1cc(OC(F)(F)F)ccc1F.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.N#Cc1cc(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;5-(2-amino-1,3-benzothiazol-6-yl)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)?
The InChIKey is BCHRCPNNTDTXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2S.C14H11N3O2S.2C9H9F4NO.C8H3F4NO/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;1-7-10(13(18)19)4-9(6-16-7)8-2-3-11-12(5-8)20-14(15)17-11;2*1-5(14)7-4-6(2-3-8(7)10)15-9(11,12)13;9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h3-10,12H,1-2H3,(H2,28,31)(H,30,32);2-6H,1H3,(H2,15,17)(H,18,19);2*2-5H,14H2,1H3;1-3H.
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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)?
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)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine) has a molecular weight of 1427.26 g/mol, XLogP of 16.81, 12 rotatable bonds, 6 hydrogen bond donors, and 17 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;5-(2-amino-1,3-benzothiazol-6-yl)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine) is sourced from PubChem (CID 164955391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).