N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide

C104H120N20O13S8 — CID 157230776

About N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 157230776) has the molecular formula C104H120N20O13S8 and a molecular weight of 2114.77 g/mol. Its IUPAC name is N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
• PubChem CID: 157230776
• Molecular Formula: C104H120N20O13S8
• Molecular Weight: 2114.77 g/mol
• Exact Mass: 2112.71
• IUPAC Name: N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(S(=O)Cc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(CN2C[C@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CCC2=O)cc1.C=CC(=O)Nc1ccc(CN2C[C@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CCC2=O)nc1.C=CC(=O)Nc1ccc(Cn2cc(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)ccc2=O)cc1
• InChI: InChI=1S/C27H32N4O4S2.C26H31N5O3S2.C26H27N5O3S2.C25H30N6O3S2/c1-5-22(32)30-20-10-8-19(9-11-20)26(33)31-12-6-7-18(16-31)13-24-29-15-25(36-24)37(34)17-23-28-14-21(35-23)27(2,3)4;2*1-5-21(32)29-18-8-6-17(7-9-18)14-31-15-19(10-11-23(31)33)30-25-28-13-24(36-25)35-16-22-27-12-20(34-22)26(2,3)4;1-5-20(32)29-16-6-7-17(26-10-16)13-31-14-18(8-9-22(31)33)30-24-28-12-23(36-24)35-15-21-27-11-19(34-21)25(2,3)4/h5,8-11,14-15,18H,1,6-7,12-13,16-17H2,2-4H3,(H,30,32);5-9,12-13,19H,1,10-11,14-16H2,2-4H3,(H,28,30)(H,29,32);5-13,15H,1,14,16H2,2-4H3,(H,28,30)(H,29,32);5-7,10-12,18H,1,8-9,13-15H2,2-4H3,(H,28,30)(H,29,32)/t18-,37?;19-;;18-/m01.1/s1
• InChIKey: AUBONOTXNIMLGL-OPKPMSORSA-N
• XLogP: 21.05
• TPSA: 421.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.77
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?

The IUPAC name of N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 157230776) is N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?

The canonical SMILES for N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(S(=O)Cc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(CN2C[C@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CCC2=O)cc1.C=CC(=O)Nc1ccc(CN2C[C@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CCC2=O)nc1.C=CC(=O)Nc1ccc(Cn2cc(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)ccc2=O)cc1.

What is the InChIKey of N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?

The InChIKey is AUBONOTXNIMLGL-OPKPMSORSA-N. The full InChI is InChI=1S/C27H32N4O4S2.C26H31N5O3S2.C26H27N5O3S2.C25H30N6O3S2/c1-5-22(32)30-20-10-8-19(9-11-20)26(33)31-12-6-7-18(16-31)13-24-29-15-25(36-24)37(34)17-23-28-14-21(35-23)27(2,3)4;2*1-5-21(32)29-18-8-6-17(7-9-18)14-31-15-19(10-11-23(31)33)30-25-28-13-24(36-25)35-16-22-27-12-20(34-22)26(2,3)4;1-5-20(32)29-16-6-7-17(26-10-16)13-31-14-18(8-9-22(31)33)30-24-28-12-23(36-24)35-15-21-27-11-19(34-21)25(2,3)4/h5,8-11,14-15,18H,1,6-7,12-13,16-17H2,2-4H3,(H,30,32);5-9,12-13,19H,1,10-11,14-16H2,2-4H3,(H,28,30)(H,29,32);5-13,15H,1,14,16H2,2-4H3,(H,28,30)(H,29,32);5-7,10-12,18H,1,8-9,13-15H2,2-4H3,(H,28,30)(H,29,32)/t18-,37?;19-;;18-/m01.1/s1.

What are the key properties of N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?

N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 2114.77 g/mol, XLogP of 21.05, 35 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]phenyl]prop-2-enamide;N-[6-[[(5R)-5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxopiperidin-1-yl]methyl]-3-pyridinyl]prop-2-enamide;N-[4-[[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxo-1-pyridinyl]methyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 157230776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).