N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide

C192H225F5N28O21S14 — CID 163796532

IUPACN-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC(F)(F)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC(F)(F)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C)c(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1C.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1F.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)[C@H]2C)cc1.C=CC(=O)Nc1cccc(C(=O)N2CCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1
InChIInChI=1S/3C28H34N4O3S2.2C27H30F2N4O3S2.C27H31FN4O3S2.C27H32N4O3S2/c1-6-23(33)31-21-11-9-19(10-12-21)27(34)32-13-7-8-20(18(32)2)14-25-30-16-26(37-25)36-17-24-29-15-22(35-24)28(3,4)5;1-6-23(33)31-21-11-9-20(10-12-21)26(34)32-13-7-8-19(16-32)14-25-30-18(2)27(37-25)36-17-24-29-15-22(35-24)28(3,4)5;1-6-23(33)31-21-10-9-20(12-18(21)2)27(34)32-11-7-8-19(16-32)13-25-30-15-26(37-25)36-17-24-29-14-22(35-24)28(3,4)5;2*1-5-21(34)32-19-8-6-18(7-9-19)25(35)33-14-17(11-27(28,29)16-33)10-23-31-13-24(38-23)37-15-22-30-12-20(36-22)26(2,3)4;1-5-22(33)31-20-9-8-18(12-19(20)28)26(34)32-10-6-7-17(15-32)11-24-30-14-25(37-24)36-16-23-29-13-21(35-23)27(2,3)4;1-5-22(32)30-20-8-6-7-19(14-20)26(33)31-11-9-18(10-12-31)13-24-29-16-25(36-24)35-17-23-28-15-21(34-23)27(2,3)4/h6,9-12,15-16,18,20H,1,7-8,13-14,17H2,2-5H3,(H,31,33);6,9-12,15,19H,1,7-8,13-14,16-17H2,2-5H3,(H,31,33);6,9-10,12,14-15,19H,1,7-8,11,13,16-17H2,2-5H3,(H,31,33);2*5-9,12-13,17H,1,10-11,14-16H2,2-4H3,(H,32,34);5,8-9,12-14,17H,1,6-7,10-11,15-16H2,2-4H3,(H,31,33);5-8,14-16,18H,1,9-13,17H2,2-4H3,(H,30,32)/t18-,20+;2*19-;;;17-;/m100..0./s1
InChIKeyNBHKIPRMCZFUTO-QMZJWUTQSA-N
MW3805.01 g/mol
LogP43.22
Rot. Bonds56

About N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 163796532) has the molecular formula C192H225F5N28O21S14 and a molecular weight of 3805.01 g/mol. Its IUPAC name is N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID163796532
Molecular FormulaC192H225F5N28O21S14
Molecular Weight3805.01 g/mol
Exact Mass3801.34
IUPAC NameN-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC(F)(F)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC(F)(F)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C)c(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1C.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1F.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)[C@H]2C)cc1.C=CC(=O)Nc1cccc(C(=O)N2CCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1
InChIInChI=1S/3C28H34N4O3S2.2C27H30F2N4O3S2.C27H31FN4O3S2.C27H32N4O3S2/c1-6-23(33)31-21-11-9-19(10-12-21)27(34)32-13-7-8-20(18(32)2)14-25-30-16-26(37-25)36-17-24-29-15-22(35-24)28(3,4)5;1-6-23(33)31-21-11-9-20(10-12-21)26(34)32-13-7-8-19(16-32)14-25-30-18(2)27(37-25)36-17-24-29-15-22(35-24)28(3,4)5;1-6-23(33)31-21-10-9-20(12-18(21)2)27(34)32-11-7-8-19(16-32)13-25-30-15-26(37-25)36-17-24-29-14-22(35-24)28(3,4)5;2*1-5-21(34)32-19-8-6-18(7-9-19)25(35)33-14-17(11-27(28,29)16-33)10-23-31-13-24(38-23)37-15-22-30-12-20(36-22)26(2,3)4;1-5-22(33)31-20-9-8-18(12-19(20)28)26(34)32-10-6-7-17(15-32)11-24-30-14-25(37-24)36-16-23-29-13-21(35-23)27(2,3)4;1-5-22(32)30-20-8-6-7-19(14-20)26(33)31-11-9-18(10-12-31)13-24-29-16-25(36-24)35-17-23-28-15-21(34-23)27(2,3)4/h6,9-12,15-16,18,20H,1,7-8,13-14,17H2,2-5H3,(H,31,33);6,9-12,15,19H,1,7-8,13-14,16-17H2,2-5H3,(H,31,33);6,9-10,12,14-15,19H,1,7-8,11,13,16-17H2,2-5H3,(H,31,33);2*5-9,12-13,17H,1,10-11,14-16H2,2-4H3,(H,32,34);5,8-9,12-14,17H,1,6-7,10-11,15-16H2,2-4H3,(H,31,33);5-8,14-16,18H,1,9-13,17H2,2-4H3,(H,30,32)/t18-,20+;2*19-;;;17-;/m100..0./s1
InChIKeyNBHKIPRMCZFUTO-QMZJWUTQSA-N
XLogP43.22
TPSA618.31 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds56
Heavy Atoms260
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003805.01
LogP ≤ 543.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 163796532) is N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC(F)(F)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC(F)(F)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C)c(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1C.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1F.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)[C@H]2C)cc1.C=CC(=O)Nc1cccc(C(=O)N2CCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1.
What is the InChIKey of N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is NBHKIPRMCZFUTO-QMZJWUTQSA-N. The full InChI is InChI=1S/3C28H34N4O3S2.2C27H30F2N4O3S2.C27H31FN4O3S2.C27H32N4O3S2/c1-6-23(33)31-21-11-9-19(10-12-21)27(34)32-13-7-8-20(18(32)2)14-25-30-16-26(37-25)36-17-24-29-15-22(35-24)28(3,4)5;1-6-23(33)31-21-11-9-20(10-12-21)26(34)32-13-7-8-19(16-32)14-25-30-18(2)27(37-25)36-17-24-29-15-22(35-24)28(3,4)5;1-6-23(33)31-21-10-9-20(12-18(21)2)27(34)32-11-7-8-19(16-32)13-25-30-15-26(37-25)36-17-24-29-14-22(35-24)28(3,4)5;2*1-5-21(34)32-19-8-6-18(7-9-19)25(35)33-14-17(11-27(28,29)16-33)10-23-31-13-24(38-23)37-15-22-30-12-20(36-22)26(2,3)4;1-5-22(33)31-20-9-8-18(12-19(20)28)26(34)32-10-6-7-17(15-32)11-24-30-14-25(37-24)36-16-23-29-13-21(35-23)27(2,3)4;1-5-22(32)30-20-8-6-7-19(14-20)26(33)31-11-9-18(10-12-31)13-24-29-16-25(36-24)35-17-23-28-15-21(34-23)27(2,3)4/h6,9-12,15-16,18,20H,1,7-8,13-14,17H2,2-5H3,(H,31,33);6,9-12,15,19H,1,7-8,13-14,16-17H2,2-5H3,(H,31,33);6,9-10,12,14-15,19H,1,7-8,11,13,16-17H2,2-5H3,(H,31,33);2*5-9,12-13,17H,1,10-11,14-16H2,2-4H3,(H,32,34);5,8-9,12-14,17H,1,6-7,10-11,15-16H2,2-4H3,(H,31,33);5-8,14-16,18H,1,9-13,17H2,2-4H3,(H,30,32)/t18-,20+;2*19-;;;17-;/m100..0./s1.
What are the key properties of N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?
N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 3805.01 g/mol, XLogP of 43.22, 56 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;bis(N-[4-[5-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-3,3-difluoropiperidine-1-carbonyl]phenyl]prop-2-enamide);N-[4-[(2R,3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-fluorophenyl]prop-2-enamide;N-[4-[(3S)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]prop-2-enamide;N-[3-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 163796532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).