N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide

C81H93F3N14O10S3 — CID 161012786

About N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 161012786) has the molecular formula C81H93F3N14O10S3 and a molecular weight of 1575.92 g/mol. Its IUPAC name is N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
• PubChem CID: 161012786
• Molecular Formula: C81H93F3N14O10S3
• Molecular Weight: 1575.92 g/mol
• Exact Mass: 1574.63
• IUPAC Name: N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(CCc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(COCc4cccc(C(F)(F)F)c4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(COCc4ncc(C(C)(C)C)o4)s3)C2)cc1
• InChI: InChI=1S/C27H27F3N4O3S.C27H33N5O4S.C27H33N5O3S/c1-2-24(35)32-21-10-8-19(9-11-21)25(36)34-12-4-7-22(15-34)33-26-31-14-23(38-26)17-37-16-18-5-3-6-20(13-18)27(28,29)30;1-5-23(33)30-19-10-8-18(9-11-19)25(34)32-12-6-7-20(15-32)31-26-29-13-21(37-26)16-35-17-24-28-14-22(36-24)27(2,3)4;1-5-23(33)30-19-10-8-18(9-11-19)25(34)32-14-6-7-20(17-32)31-26-29-15-21(36-26)12-13-24-28-16-22(35-24)27(2,3)4/h2-3,5-6,8-11,13-14,22H,1,4,7,12,15-17H2,(H,31,33)(H,32,35);5,8-11,13-14,20H,1,6-7,12,15-17H2,2-4H3,(H,29,31)(H,30,33);5,8-11,15-16,20H,1,6-7,12-14,17H2,2-4H3,(H,29,31)(H,30,33)/t22-;2*20-/m111/s1
• InChIKey: TXIPOGUKGHBZKX-JLCVOEKQSA-N
• XLogP: 15.76
• TPSA: 293.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1575.92
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?

The IUPAC name of N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 161012786) is N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?

The canonical SMILES for N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(CCc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(COCc4cccc(C(F)(F)F)c4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(COCc4ncc(C(C)(C)C)o4)s3)C2)cc1.

What is the InChIKey of N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?

The InChIKey is TXIPOGUKGHBZKX-JLCVOEKQSA-N. The full InChI is InChI=1S/C27H27F3N4O3S.C27H33N5O4S.C27H33N5O3S/c1-2-24(35)32-21-10-8-19(9-11-21)25(36)34-12-4-7-22(15-34)33-26-31-14-23(38-26)17-37-16-18-5-3-6-20(13-18)27(28,29)30;1-5-23(33)30-19-10-8-18(9-11-19)25(34)32-12-6-7-20(15-32)31-26-29-13-21(37-26)16-35-17-24-28-14-22(36-24)27(2,3)4;1-5-23(33)30-19-10-8-18(9-11-19)25(34)32-14-6-7-20(17-32)31-26-29-15-21(36-26)12-13-24-28-16-22(35-24)27(2,3)4/h2-3,5-6,8-11,13-14,22H,1,4,7,12,15-17H2,(H,31,33)(H,32,35);5,8-11,13-14,20H,1,6-7,12,15-17H2,2-4H3,(H,29,31)(H,30,33);5,8-11,15-16,20H,1,6-7,12-14,17H2,2-4H3,(H,29,31)(H,30,33)/t22-;2*20-/m111/s1.

What are the key properties of N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?

N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 1575.92 g/mol, XLogP of 15.76, 26 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 161012786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).