N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide

C150H165F3N28O14S12 — CID 163948614

IUPACN-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccn4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cccnc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cnc(C)nc4)s3)C2)cc1.C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(C(F)(F)F)c1.C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1
InChIInChI=1S/C27H31F3N4O3S2.C26H32N4O3S2.C25H26N4O2S2.C24H26N6O2S2.2C24H25N5O2S2/c1-5-22(35)33-17-9-10-20(19(12-17)27(28,29)30)36-18-8-6-7-16(11-18)34-25-32-14-24(39-25)38-15-23-31-13-21(37-23)26(2,3)4;1-5-22(31)29-17-9-11-19(12-10-17)32-20-8-6-7-18(13-20)30-25-28-15-24(35-25)34-16-23-27-14-21(33-23)26(2,3)4;1-2-22(30)27-20-12-10-19(11-13-20)24(31)29-14-6-9-21(16-29)28-25-26-15-23(33-25)32-17-18-7-4-3-5-8-18;1-3-21(31)28-19-8-6-18(7-9-19)23(32)30-10-4-5-20(14-30)29-24-27-13-22(34-24)33-15-17-11-25-16(2)26-12-17;1-2-21(30)27-19-9-7-18(8-10-19)23(31)29-12-4-6-20(15-29)28-24-26-14-22(33-24)32-16-17-5-3-11-25-13-17;1-2-21(30)27-18-10-8-17(9-11-18)23(31)29-13-5-7-19(15-29)28-24-26-14-22(33-24)32-16-20-6-3-4-12-25-20/h5,9-10,12-14,16,18H,1,6-8,11,15H2,2-4H3,(H,32,34)(H,33,35);5,9-12,14-15,18,20H,1,6-8,13,16H2,2-4H3,(H,28,30)(H,29,31);2-5,7-8,10-13,15,21H,1,6,9,14,16-17H2,(H,26,28)(H,27,30);3,6-9,11-13,20H,1,4-5,10,14-15H2,2H3,(H,27,29)(H,28,31);2-3,5,7-11,13-14,20H,1,4,6,12,15-16H2,(H,26,28)(H,27,30);2-4,6,8-12,14,19H,1,5,7,13,15-16H2,(H,26,28)(H,27,30)/t16-,18-;18-,20-;21-;2*20-;19-/m111111/s1
InChIKeyRXILUUZBUFIELV-LKDPEOIBSA-N
MW3025.95 g/mol
LogP33.31
Rot. Bonds50

About N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 163948614) has the molecular formula C150H165F3N28O14S12 and a molecular weight of 3025.95 g/mol. Its IUPAC name is N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID163948614
Molecular FormulaC150H165F3N28O14S12
Molecular Weight3025.95 g/mol
Exact Mass3022.97
IUPAC NameN-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccn4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cccnc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cnc(C)nc4)s3)C2)cc1.C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(C(F)(F)F)c1.C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1
InChIInChI=1S/C27H31F3N4O3S2.C26H32N4O3S2.C25H26N4O2S2.C24H26N6O2S2.2C24H25N5O2S2/c1-5-22(35)33-17-9-10-20(19(12-17)27(28,29)30)36-18-8-6-7-16(11-18)34-25-32-14-24(39-25)38-15-23-31-13-21(37-23)26(2,3)4;1-5-22(31)29-17-9-11-19(12-10-17)32-20-8-6-7-18(13-20)30-25-28-15-24(35-25)34-16-23-27-14-21(33-23)26(2,3)4;1-2-22(30)27-20-12-10-19(11-13-20)24(31)29-14-6-9-21(16-29)28-25-26-15-23(33-25)32-17-18-7-4-3-5-8-18;1-3-21(31)28-19-8-6-18(7-9-19)23(32)30-10-4-5-20(14-30)29-24-27-13-22(34-24)33-15-17-11-25-16(2)26-12-17;1-2-21(30)27-19-9-7-18(8-10-19)23(31)29-12-4-6-20(15-29)28-24-26-14-22(33-24)32-16-17-5-3-11-25-13-17;1-2-21(30)27-18-10-8-17(9-11-18)23(31)29-13-5-7-19(15-29)28-24-26-14-22(33-24)32-16-20-6-3-4-12-25-20/h5,9-10,12-14,16,18H,1,6-8,11,15H2,2-4H3,(H,32,34)(H,33,35);5,9-12,14-15,18,20H,1,6-8,13,16H2,2-4H3,(H,28,30)(H,29,31);2-5,7-8,10-13,15,21H,1,6,9,14,16-17H2,(H,26,28)(H,27,30);3,6-9,11-13,20H,1,4-5,10,14-15H2,2H3,(H,27,29)(H,28,31);2-3,5,7-11,13-14,20H,1,4,6,12,15-16H2,(H,26,28)(H,27,30);2-4,6,8-12,14,19H,1,5,7,13,15-16H2,(H,26,28)(H,27,30)/t16-,18-;18-,20-;21-;2*20-;19-/m111111/s1
InChIKeyRXILUUZBUFIELV-LKDPEOIBSA-N
XLogP33.31
TPSA527.44 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds50
Heavy Atoms207
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003025.95
LogP ≤ 533.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 163948614) is N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccn4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cccnc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cnc(C)nc4)s3)C2)cc1.C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(C(F)(F)F)c1.C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1.
What is the InChIKey of N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is RXILUUZBUFIELV-LKDPEOIBSA-N. The full InChI is InChI=1S/C27H31F3N4O3S2.C26H32N4O3S2.C25H26N4O2S2.C24H26N6O2S2.2C24H25N5O2S2/c1-5-22(35)33-17-9-10-20(19(12-17)27(28,29)30)36-18-8-6-7-16(11-18)34-25-32-14-24(39-25)38-15-23-31-13-21(37-23)26(2,3)4;1-5-22(31)29-17-9-11-19(12-10-17)32-20-8-6-7-18(13-20)30-25-28-15-24(35-25)34-16-23-27-14-21(33-23)26(2,3)4;1-2-22(30)27-20-12-10-19(11-13-20)24(31)29-14-6-9-21(16-29)28-25-26-15-23(33-25)32-17-18-7-4-3-5-8-18;1-3-21(31)28-19-8-6-18(7-9-19)23(32)30-10-4-5-20(14-30)29-24-27-13-22(34-24)33-15-17-11-25-16(2)26-12-17;1-2-21(30)27-19-9-7-18(8-10-19)23(31)29-12-4-6-20(15-29)28-24-26-14-22(33-24)32-16-17-5-3-11-25-13-17;1-2-21(30)27-18-10-8-17(9-11-18)23(31)29-13-5-7-19(15-29)28-24-26-14-22(33-24)32-16-20-6-3-4-12-25-20/h5,9-10,12-14,16,18H,1,6-8,11,15H2,2-4H3,(H,32,34)(H,33,35);5,9-12,14-15,18,20H,1,6-8,13,16H2,2-4H3,(H,28,30)(H,29,31);2-5,7-8,10-13,15,21H,1,6,9,14,16-17H2,(H,26,28)(H,27,30);3,6-9,11-13,20H,1,4-5,10,14-15H2,2H3,(H,27,29)(H,28,31);2-3,5,7-11,13-14,20H,1,4,6,12,15-16H2,(H,26,28)(H,27,30);2-4,6,8-12,14,19H,1,5,7,13,15-16H2,(H,26,28)(H,27,30)/t16-,18-;18-,20-;21-;2*20-;19-/m111111/s1.
What are the key properties of N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?
N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 3025.95 g/mol, XLogP of 33.31, 50 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxyphenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 163948614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).