2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
C76H92N12O8S4 — CID 158605581
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc2c(OC(C)C)nc(-c3csc(NC(C)C)n3)cc2c1.COc1ccc2c(OC(C)C)nc(-c3csc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)C)nc(-c3nc(C(C)C)cs3)cc2c1C.COc1ccc2c(OC(C)C)nc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C20H24N2O2S.2C19H23N3O2S.C18H22N4O2S/c1-11(2)17-10-25-20(22-17)16-9-15-13(5)18(23-6)8-7-14(15)19(21-16)24-12(3)4;1-10(2)14-9-25-19(20-14)17-21-16-12(5)15(23-6)8-7-13(16)18(22-17)24-11(3)4;1-11(2)20-19-22-17(10-25-19)16-9-13-8-14(23-5)6-7-15(13)18(21-16)24-12(3)4;1-10(2)19-18-21-15(9-25-18)16-20-14-8-12(23-5)6-7-13(14)17(22-16)24-11(3)4/h7-12H,1-6H3;7-11H,1-6H3;6-12H,1-5H3,(H,20,22);6-11H,1-5H3,(H,19,21)
InChIKeyHWEHLYQVUXHKAY-UHFFFAOYSA-N
MW1429.92 g/mol
LogP19.91
Rot. Bonds22
About 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 158605581) has the molecular formula C76H92N12O8S4 and a molecular weight of 1429.92 g/mol. Its IUPAC name is 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine.
Molecular Properties
| Compound Name | 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine |
|---|---|
| PubChem CID | 158605581 |
| Molecular Formula | C76H92N12O8S4 |
| Molecular Weight | 1429.92 g/mol |
| Exact Mass | 1428.60 |
| IUPAC Name | 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine |
| SMILES | COc1ccc2c(OC(C)C)nc(-c3csc(NC(C)C)n3)cc2c1.COc1ccc2c(OC(C)C)nc(-c3csc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)C)nc(-c3nc(C(C)C)cs3)cc2c1C.COc1ccc2c(OC(C)C)nc(-c3nc(C(C)C)cs3)nc2c1C |
| InChI | InChI=1S/C20H24N2O2S.2C19H23N3O2S.C18H22N4O2S/c1-11(2)17-10-25-20(22-17)16-9-15-13(5)18(23-6)8-7-14(15)19(21-16)24-12(3)4;1-10(2)14-9-25-19(20-14)17-21-16-12(5)15(23-6)8-7-13(16)18(22-17)24-11(3)4;1-11(2)20-19-22-17(10-25-19)16-9-13-8-14(23-5)6-7-15(13)18(21-16)24-12(3)4;1-10(2)19-18-21-15(9-25-18)16-20-14-8-12(23-5)6-7-13(14)17(22-16)24-11(3)4/h7-12H,1-6H3;7-11H,1-6H3;6-12H,1-5H3,(H,20,22);6-11H,1-5H3,(H,19,21) |
| InChIKey | HWEHLYQVUXHKAY-UHFFFAOYSA-N |
| XLogP | 19.91 |
| TPSA | 226.80 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 100 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1429.92 |
| LogP ≤ 5 | 19.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 158605581) is 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine is COc1ccc2c(OC(C)C)nc(-c3csc(NC(C)C)n3)cc2c1.COc1ccc2c(OC(C)C)nc(-c3csc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)C)nc(-c3nc(C(C)C)cs3)cc2c1C.COc1ccc2c(OC(C)C)nc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is HWEHLYQVUXHKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S.2C19H23N3O2S.C18H22N4O2S/c1-11(2)17-10-25-20(22-17)16-9-15-13(5)18(23-6)8-7-14(15)19(21-16)24-12(3)4;1-10(2)14-9-25-19(20-14)17-21-16-12(5)15(23-6)8-7-13(16)18(22-17)24-11(3)4;1-11(2)20-19-22-17(10-25-19)16-9-13-8-14(23-5)6-7-15(13)18(21-16)24-12(3)4;1-10(2)19-18-21-15(9-25-18)16-20-14-8-12(23-5)6-7-13(14)17(22-16)24-11(3)4/h7-12H,1-6H3;7-11H,1-6H3;6-12H,1-5H3,(H,20,22);6-11H,1-5H3,(H,19,21).
What are the key properties of 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 1429.92 g/mol, XLogP of 19.91, 22 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-5-methyl-1-propan-2-yloxyisoquinolin-3-yl)-4-propan-2-yl-1,3-thiazole;2-(7-methoxy-8-methyl-4-propan-2-yloxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-(6-methoxy-1-propan-2-yloxyisoquinolin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;4-(7-methoxy-4-propan-2-yloxyquinazolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158605581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158605581 — identifiers, structure, computed properties (public domain)
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