About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 158119556) has the molecular formula C168H205N29O20S12
and a molecular weight of 3335.47 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide (CID 158119556) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide is C=CC(=O)Cc1ccc(C(=O)N2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)cc1.C=CC(=O)Cc1ccc(CN2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)cc1.C=CC(=O)Nc1cccc(C(=O)N2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1.C=CC(=O)Nc1cccc(C(C)N2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1.C=CC(=O)Nc1cccc(CN2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1.CN(C)C/C=C/C(=O)Nc1cccc(CN2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)c1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is FRKYXGBCRDZTEV-JBVXGRHLSA-N. The full InChI is InChI=1S/C30H40N6O3S2.C28H35N5O3S2.C28H32N4O4S2.C28H34N4O3S2.C27H31N5O4S2.C27H33N5O3S2/c1-30(2,3)24-17-31-26(39-24)20-40-27-18-32-29(41-27)34-28(38)22-11-14-36(15-12-22)19-21-8-6-9-23(16-21)33-25(37)10-7-13-35(4)5;1-6-23(34)31-21-9-7-8-20(14-21)18(2)33-12-10-19(11-13-33)26(35)32-27-30-16-25(38-27)37-17-24-29-15-22(36-24)28(3,4)5;1-5-21(33)14-18-6-8-20(9-7-18)26(35)32-12-10-19(11-13-32)25(34)31-27-30-16-24(38-27)37-17-23-29-15-22(36-23)28(2,3)4;1-5-22(33)14-19-6-8-20(9-7-19)17-32-12-10-21(11-13-32)26(34)31-27-30-16-25(37-27)36-18-24-29-15-23(35-24)28(2,3)4;1-5-21(33)30-19-8-6-7-18(13-19)25(35)32-11-9-17(10-12-32)24(34)31-26-29-15-23(38-26)37-16-22-28-14-20(36-22)27(2,3)4;1-5-22(33)30-20-8-6-7-18(13-20)16-32-11-9-19(10-12-32)25(34)31-26-29-15-24(37-26)36-17-23-28-14-21(35-23)27(2,3)4/h6-10,16-18,22H,11-15,19-20H2,1-5H3,(H,33,37)(H,32,34,38);6-9,14-16,18-19H,1,10-13,17H2,2-5H3,(H,31,34)(H,30,32,35);5-9,15-16,19H,1,10-14,17H2,2-4H3,(H,30,31,34);5-9,15-16,21H,1,10-14,17-18H2,2-4H3,(H,30,31,34);5-8,13-15,17H,1,9-12,16H2,2-4H3,(H,30,33)(H,29,31,34);5-8,13-15,19H,1,9-12,16-17H2,2-4H3,(H,30,33)(H,29,31,34)/b10-7+;;;;;.
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 3335.47 g/mol, XLogP of 34.30, 56 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[4-(2-oxobut-3-enyl)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[4-(2-oxobut-3-enyl)phenyl]methyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[3-(prop-2-enoylamino)benzoyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[1-[3-(prop-2-enoylamino)phenyl]ethyl]piperidine-4-carboxamide;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 158119556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).