N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide

C23H23F4N7O2S — CID 167524938

About N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 167524938) has the molecular formula C23H23F4N7O2S and a molecular weight of 537.54 g/mol. Its IUPAC name is N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 167524938
• Molecular Formula: C23H23F4N7O2S
• Molecular Weight: 537.54 g/mol
• Exact Mass: 537.16
• IUPAC Name: N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide
• SMILES: CN1CC[C@H](Nc2cccc3c2cc(-c2noc(CNC(=O)c4cncs4)n2)n3CC(F)(F)F)[C@H](F)C1
• InChI: InChI=1S/C23H23F4N7O2S/c1-33-6-5-16(14(24)10-33)30-15-3-2-4-17-13(15)7-18(34(17)11-23(25,26)27)21-31-20(36-32-21)9-29-22(35)19-8-28-12-37-19/h2-4,7-8,12,14,16,30H,5-6,9-11H2,1H3,(H,29,35)/t14-,16+/m1/s1
• InChIKey: UFFPAMQTXGTUGV-ZBFHGGJFSA-N
• XLogP: 4.09
• TPSA: 101.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.54
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide (CID 167524938) is N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide is CN1CC[C@H](Nc2cccc3c2cc(-c2noc(CNC(=O)c4cncs4)n2)n3CC(F)(F)F)[C@H](F)C1.

What is the InChIKey of N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is UFFPAMQTXGTUGV-ZBFHGGJFSA-N. The full InChI is InChI=1S/C23H23F4N7O2S/c1-33-6-5-16(14(24)10-33)30-15-3-2-4-17-13(15)7-18(34(17)11-23(25,26)27)21-31-20(36-32-21)9-29-22(35)19-8-28-12-37-19/h2-4,7-8,12,14,16,30H,5-6,9-11H2,1H3,(H,29,35)/t14-,16+/m1/s1.

What are the key properties of N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide?

N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 537.54 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167524938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).