N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide

C79H88ClF3N16O8S3 — CID 159279662

About N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 159279662) has the molecular formula C79H88ClF3N16O8S3 and a molecular weight of 1578.32 g/mol. Its IUPAC name is N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
• PubChem CID: 159279662
• Molecular Formula: C79H88ClF3N16O8S3
• Molecular Weight: 1578.32 g/mol
• Exact Mass: 1576.58
• IUPAC Name: N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(/C=C/c4ncc(C(C)(C)C)o4)s3)C2)cc1.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(CNc4cc(C(F)(F)F)c(Cl)cn4)s3)C2)cc1
• InChI: InChI=1S/C27H33N5O3S.C27H31N5O3S.C25H24ClF3N6O2S/c2*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;1-2-22(36)33-16-7-5-15(6-8-16)23(37)35-9-3-4-17(14-35)34-24-32-12-18(38-24)11-30-21-10-19(25(27,28)29)20(26)13-31-21/h5,8-11,15-16,20H,1,6-7,12-14,17H2,2-4H3,(H,29,31)(H,30,33);5,8-13,15-16,20H,1,6-7,14,17H2,2-4H3,(H,29,31)(H,30,33);2,5-8,10,12-13,17H,1,3-4,9,11,14H2,(H,30,31)(H,32,34)(H,33,36)/b;13-12+;/t2*20-;17-/m111/s1
• InChIKey: KYTHAISYBSOORO-IYMGCFTBSA-N
• XLogP: 16.16
• TPSA: 299.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1578.32
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	7
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-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?

The IUPAC name of N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 159279662) is N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide.

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

The canonical SMILES for N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(/C=C/c4ncc(C(C)(C)C)o4)s3)C2)cc1.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(CNc4cc(C(F)(F)F)c(Cl)cn4)s3)C2)cc1.

What is the InChIKey of N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?

The InChIKey is KYTHAISYBSOORO-IYMGCFTBSA-N. The full InChI is InChI=1S/C27H33N5O3S.C27H31N5O3S.C25H24ClF3N6O2S/c2*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;1-2-22(36)33-16-7-5-15(6-8-16)23(37)35-9-3-4-17(14-35)34-24-32-12-18(38-24)11-30-21-10-19(25(27,28)29)20(26)13-31-21/h5,8-11,15-16,20H,1,6-7,12-14,17H2,2-4H3,(H,29,31)(H,30,33);5,8-13,15-16,20H,1,6-7,14,17H2,2-4H3,(H,29,31)(H,30,33);2,5-8,10,12-13,17H,1,3-4,9,11,14H2,(H,30,31)(H,32,34)(H,33,36)/b;13-12+;/t2*20-;17-/m111/s1.

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

N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 1578.32 g/mol, XLogP of 16.16, 23 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3R)-3-[[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 159279662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).