1-[3,5-difluoro-4-[[4-methyl-5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]ethanone
C107H89F8N29O16S7 — CID 158902651
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1-[3,5-difluoro-4-[[4-methyl-5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]ethanone
1-[3,5-difluoro-4-[[4-methyl-5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]ethanone (PubChem CID 158902651) has the molecular formula C107H89F8N29O16S7 and a molecular weight of 2413.53 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[[4-methyl-5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]ethanone.
Molecular Properties
| Compound Name | 1-[3,5-difluoro-4-[[4-methyl-5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]ethanone |
|---|---|
| PubChem CID | 158902651 |
| Molecular Formula | C107H89F8N29O16S7 |
| Molecular Weight | 2413.53 g/mol |
| Exact Mass | 2411.50 |
| IUPAC Name | 1-[3,5-difluoro-4-[[4-methyl-5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]ethanone |
| SMILES | Cc1nc(N2CCOCC2)sc1-c1nnc(Sc2c(F)cc(C(=O)CO)cc2F)n1C.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ccccn1.Cn1c(Sc2ccc(C(=O)CO)cc2)nnc1-c1cccs1.O=C(CO)c1cc(F)c(Cn2nnnc2-c2ccccn2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnnc2-c2cccs2)c(F)c1.O=C(CO)c1ccc(Cn2nnc(-c3ccco3)n2)cc1.O=C(CO)c1ccc(Cn2nnnc2-c2cccs2)cc1 |
| InChI | InChI=1S/C19H19F2N5O3S2.C16H12F2N4O2S.C15H11F2N5O2.C15H13N3O2S2.C14H10F2N4O2S.C14H12N4O3.C14H12N4O2S/c1-10-15(30-18(22-10)26-3-5-29-6-4-26)17-23-24-19(25(17)2)31-16-12(20)7-11(8-13(16)21)14(28)9-27;1-22-15(12-4-2-3-5-19-12)20-21-16(22)25-14-10(17)6-9(7-11(14)18)13(24)8-23;16-11-5-9(14(24)8-23)6-12(17)10(11)7-22-15(19-20-21-22)13-3-1-2-4-18-13;1-18-14(13-3-2-8-21-13)16-17-15(18)22-11-6-4-10(5-7-11)12(20)9-19;15-10-4-8(12(22)7-21)5-11(16)9(10)6-20-14(17-18-19-20)13-2-1-3-23-13;19-9-12(20)11-5-3-10(4-6-11)8-18-16-14(15-17-18)13-2-1-7-21-13;19-9-12(20)11-5-3-10(4-6-11)8-18-14(15-16-17-18)13-2-1-7-21-13/h7-8,27H,3-6,9H2,1-2H3;2-7,23H,8H2,1H3;1-6,23H,7-8H2;2-8,19H,9H2,1H3;1-5,21H,6-7H2;2*1-7,19H,8-9H2 |
| InChIKey | JFQIACQCEAXFJI-UHFFFAOYSA-N |
| XLogP | 13.96 |
| TPSA | 591.91 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 167 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2413.53 |
| LogP ≤ 5 | 13.96 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 52 |
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158902651 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.