4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
C208H335N29O4S12 — CID 159982476
Data last refreshed: (MolForge compound catalog, from PubChem)
About 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene (PubChem CID 159982476) has the molecular formula C208H335N29O4S12 and a molecular weight of 3690.97 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene.
Molecular Properties
| Compound Name | 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene |
|---|---|
| PubChem CID | 159982476 |
| Molecular Formula | C208H335N29O4S12 |
| Molecular Weight | 3690.97 g/mol |
| Exact Mass | 3687.36 |
| IUPAC Name | 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene |
| SMILES | C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1nc(CN2CCC2)cs1.CC(C)c1nc(CN2CCCCC2)cs1.CC(C)c1ncc(CN2CCC2)s1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1ncns1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1 |
| InChI | InChI=1S/3C14H22N2.2C12H20N2S.2C12H19NO2.2C10H16N2S.C10H15N.C9H12.2C8H11N.3C7H11NS.C7H11N.C7H10S.C6H10N2S.2C6H9NS.C5H8N2S.5CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-10(2)12-13-11(9-15-12)8-14-6-4-3-5-7-14;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-8(2)10-11-9(7-13-10)6-12-4-3-5-12;1-8(2)10-11-6-9(13-10)7-12-4-3-5-12;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-6(3)4-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;;;;;/h6-8,12H,3-5,9-11H2,1-2H3;2*6-7,10,12H,3-5,8-9,11H2,1-2H3;9-10H,3-8H2,1-2H3;8,10H,3-7,9H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;7-8H,3-6H2,1-2H3;6,8H,3-5,7H2,1-2H3;5-7H,1-4H3;3-8H,1-2H3;2*3-7H,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3;5*1H4 |
| InChIKey | OFYGGJZUTFIKMY-UHFFFAOYSA-N |
| XLogP | 59.72 |
| TPSA | 364.65 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 253 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3690.97 |
| LogP ≤ 5 | 59.72 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 45 |
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