C152H145F3N46O13S9 — CID 163780760
N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(butylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 163780760) has the molecular formula C152H145F3N46O13S9 and a molecular weight of 3169.74 g/mol. Its IUPAC name is N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(butylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
| Compound Name | N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(butylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide |
|---|---|
| PubChem CID | 163780760 |
| Molecular Formula | C152H145F3N46O13S9 |
| Molecular Weight | 3169.74 g/mol |
| Exact Mass | 3166.95 |
| IUPAC Name | N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(butylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide |
| SMILES | CC(C)c1sc(Nc2ccncn2)nc1C(=O)NCc1ccccc1.CCCCNC(=O)c1ccc(CNC(=O)c2csc(Nc3ccncn3)n2)cc1.CN(C)C(=O)c1ccc(CNC(=O)c2csc(Nc3ccncn3)n2)cc1.COc1cc(Nc2nc(C(=O)NCc3ccccc3)cs2)ncn1.COc1ccc(CCNC(=O)c2csc(Nc3ccncn3)n2)cc1.Cc1ccc(CNC(=O)c2csc(Nc3ccncn3)n2)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1csc(Nc2ccncn2)n1.O=C(NCc1ccccc1)c1csc(Nc2ccncc2)n1.O=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1 |
| InChI | InChI=1S/C20H22N6O2S.C18H18N6O2S.C18H19N5OS.C17H17N5O2S.C16H12F3N5OS.C16H15N5O2S.C16H15N5OS.C16H14N4OS.C15H13N5OS/c1-2-3-9-22-18(27)15-6-4-14(5-7-15)11-23-19(28)16-12-29-20(25-16)26-17-8-10-21-13-24-17;1-24(2)17(26)13-5-3-12(4-6-13)9-20-16(25)14-10-27-18(22-14)23-15-7-8-19-11-21-15;1-12(2)16-15(17(24)20-10-13-6-4-3-5-7-13)23-18(25-16)22-14-8-9-19-11-21-14;1-24-13-4-2-12(3-5-13)6-9-19-16(23)14-10-25-17(21-14)22-15-7-8-18-11-20-15;17-16(18,19)11-3-1-2-10(6-11)7-21-14(25)12-8-26-15(23-12)24-13-4-5-20-9-22-13;1-23-14-7-13(18-10-19-14)21-16-20-12(9-24-16)15(22)17-8-11-5-3-2-4-6-11;1-11-2-4-12(5-3-11)8-18-15(22)13-9-23-16(20-13)21-14-6-7-17-10-19-14;21-15(18-10-12-4-2-1-3-5-12)14-11-22-16(20-14)19-13-6-8-17-9-7-13;21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,22,27)(H,23,28)(H,21,24,25,26);3-8,10-11H,9H2,1-2H3,(H,20,25)(H,19,21,22,23);3-9,11-12H,10H2,1-2H3,(H,20,24)(H,19,21,22,23);2-5,7-8,10-11H,6,9H2,1H3,(H,19,23)(H,18,20,21,22);1-6,8-9H,7H2,(H,21,25)(H,20,22,23,24);2-7,9-10H,8H2,1H3,(H,17,22)(H,18,19,20,21);2-7,9-10H,8H2,1H3,(H,18,22)(H,17,19,20,21);1-9,11H,10H2,(H,18,21)(H,17,19,20);1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20) |
| InChIKey | MOJUYQSWVFVTSR-UHFFFAOYSA-N |
| XLogP | 26.81 |
| TPSA | 773.18 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 57 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 223 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3169.74 |
| LogP ≤ 5 | 26.81 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 57 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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