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

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

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 158902651) 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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.

What is the InChIKey of 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?

The InChIKey is JFQIACQCEAXFJI-UHFFFAOYSA-N. The full InChI is 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.

What are the key properties of 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 has a molecular weight of 2413.53 g/mol, XLogP of 13.96, 36 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158902651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).