N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide

C190H222F5N29O21S14 — CID 161163949

IUPACN-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]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)N2CCCC(Cc3nc(C)c(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1C.C=CC(=O)Nc1ccc(C(=O)N2CCCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1F.C=CC(=O)Nc1ccc(C(=O)N2CCCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)nc1.C=CC(=O)Nc1cccc(C(=O)N2CCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1
InChIInChI=1S/2C28H34N4O3S2.2C27H30F2N4O3S2.C27H31FN4O3S2.C27H32N4O3S2.C26H31N5O3S2/c1-6-23(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;1-5-21(32)30-18-8-9-19(27-12-18)25(33)31-10-6-7-17(15-31)11-23-29-14-24(36-23)35-16-22-28-13-20(34-22)26(2,3)4/h6,9-12,15,19H,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);5,8-9,12-14,17H,1,6-7,10-11,15-16H2,2-4H3,(H,30,32)
InChIKeyUQGWZVUUPUECRU-UHFFFAOYSA-N
MW3791.98 g/mol
LogP42.22
Rot. Bonds56

About N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide

N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide (PubChem CID 161163949) has the molecular formula C190H222F5N29O21S14 and a molecular weight of 3791.98 g/mol. Its IUPAC name is N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide
PubChem CID161163949
Molecular FormulaC190H222F5N29O21S14
Molecular Weight3791.98 g/mol
Exact Mass3788.32
IUPAC NameN-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]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)N2CCCC(Cc3nc(C)c(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1C.C=CC(=O)Nc1ccc(C(=O)N2CCCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1F.C=CC(=O)Nc1ccc(C(=O)N2CCCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)nc1.C=CC(=O)Nc1cccc(C(=O)N2CCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1
InChIInChI=1S/2C28H34N4O3S2.2C27H30F2N4O3S2.C27H31FN4O3S2.C27H32N4O3S2.C26H31N5O3S2/c1-6-23(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;1-5-21(32)30-18-8-9-19(27-12-18)25(33)31-10-6-7-17(15-31)11-23-29-14-24(36-23)35-16-22-28-13-20(34-22)26(2,3)4/h6,9-12,15,19H,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);5,8-9,12-14,17H,1,6-7,10-11,15-16H2,2-4H3,(H,30,32)
InChIKeyUQGWZVUUPUECRU-UHFFFAOYSA-N
XLogP42.22
TPSA631.20 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds56
Heavy Atoms259
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003791.98
LogP ≤ 542.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide (CID 161163949) is N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]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)N2CCCC(Cc3nc(C)c(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1C.C=CC(=O)Nc1ccc(C(=O)N2CCCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1F.C=CC(=O)Nc1ccc(C(=O)N2CCCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)nc1.C=CC(=O)Nc1cccc(C(=O)N2CCC(Cc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1.
What is the InChIKey of N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide?
The InChIKey is UQGWZVUUPUECRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H34N4O3S2.2C27H30F2N4O3S2.C27H31FN4O3S2.C27H32N4O3S2.C26H31N5O3S2/c1-6-23(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;1-5-21(32)30-18-8-9-19(27-12-18)25(33)31-10-6-7-17(15-31)11-23-29-14-24(36-23)35-16-22-28-13-20(34-22)26(2,3)4/h6,9-12,15,19H,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);5,8-9,12-14,17H,1,6-7,10-11,15-16H2,2-4H3,(H,30,32).
What are the key properties of N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide?
N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide has a molecular weight of 3791.98 g/mol, XLogP of 42.22, 56 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[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-[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-[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-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]methyl]piperidine-1-carbonyl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 161163949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).