3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate)

C139H118F5N23O12S10 — CID 158705974

About 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate)

3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate) (PubChem CID 158705974) has the molecular formula C139H118F5N23O12S10 and a molecular weight of 2718.28 g/mol. Its IUPAC name is 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate).

Molecular Properties

• Compound Name: 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate)
• PubChem CID: 158705974
• Molecular Formula: C139H118F5N23O12S10
• Molecular Weight: 2718.28 g/mol
• Exact Mass: 2715.65
• IUPAC Name: 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate)
• SMILES: C1CCOC1.C1CCOC1.CN(C(=S)NC(=O)Cc1ccccc1)c1ccc(Oc2ccnc3cc(-c4nccn4C)sc23)c(F)c1.CNc1ccc(Oc2ccnc3cc(-c4nccn4C)sc23)c(F)c1.Cn1ccnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1.Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)Cc4ccccc4)cc3F)c2s1.Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)SC(=O)Cc4ccccc4)cc3F)c2s1.O=C(Cc1ccccc1)N=C=S.O=C(Cc1ccccc1)N=C=S
• InChI: InChI=1S/C27H22FN5O2S2.C26H19FN4O2S3.C25H19FN4O2S.C18H15FN4OS.C17H13FN4OS.2C9H7NOS.2C4H8O/c1-32-13-12-30-26(32)23-16-20-25(37-23)22(10-11-29-20)35-21-9-8-18(15-19(21)28)33(2)27(36)31-24(34)14-17-6-4-3-5-7-17;1-31-12-11-29-25(31)22-15-19-24(35-22)21(9-10-28-19)33-20-8-7-17(14-18(20)27)30-26(34)36-23(32)13-16-5-3-2-4-6-16;1-30-12-11-28-25(30)22-15-19-24(33-22)21(9-10-27-19)32-20-8-7-17(14-18(20)26)29-23(31)13-16-5-3-2-4-6-16;1-20-11-3-4-14(12(19)9-11)24-15-5-6-21-13-10-16(25-17(13)15)18-22-7-8-23(18)2;1-22-7-6-21-17(22)15-9-12-16(24-15)14(4-5-20-12)23-13-3-2-10(19)8-11(13)18;2*11-9(10-7-12)6-8-4-2-1-3-5-8;2*1-2-4-5-3-1/h3-13,15-16H,14H2,1-2H3,(H,31,34,36);2-12,14-15H,13H2,1H3,(H,30,34);2-12,14-15H,13H2,1H3,(H,29,31);3-10,20H,1-2H3;2-9H,19H2,1H3;2*1-5H,6H2;2*1-4H2
• InChIKey: IICQAEIJFNOFKD-UHFFFAOYSA-N
• XLogP: 32.54
• TPSA: 405.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2718.28
LogP ≤ 5	32.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate)?

The IUPAC name of 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate) (CID 158705974) is 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate).

What is the SMILES notation for 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate)?

The canonical SMILES for 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate) is C1CCOC1.C1CCOC1.CN(C(=S)NC(=O)Cc1ccccc1)c1ccc(Oc2ccnc3cc(-c4nccn4C)sc23)c(F)c1.CNc1ccc(Oc2ccnc3cc(-c4nccn4C)sc23)c(F)c1.Cn1ccnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1.Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)Cc4ccccc4)cc3F)c2s1.Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)SC(=O)Cc4ccccc4)cc3F)c2s1.O=C(Cc1ccccc1)N=C=S.O=C(Cc1ccccc1)N=C=S.

What is the InChIKey of 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate)?

The InChIKey is IICQAEIJFNOFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O2S2.C26H19FN4O2S3.C25H19FN4O2S.C18H15FN4OS.C17H13FN4OS.2C9H7NOS.2C4H8O/c1-32-13-12-30-26(32)23-16-20-25(37-23)22(10-11-29-20)35-21-9-8-18(15-19(21)28)33(2)27(36)31-24(34)14-17-6-4-3-5-7-17;1-31-12-11-29-25(31)22-15-19-24(35-22)21(9-10-28-19)33-20-8-7-17(14-18(20)27)30-26(34)36-23(32)13-16-5-3-2-4-6-16;1-30-12-11-28-25(30)22-15-19-24(33-22)21(9-10-27-19)32-20-8-7-17(14-18(20)26)29-23(31)13-16-5-3-2-4-6-16;1-20-11-3-4-14(12(19)9-11)24-15-5-6-21-13-10-16(25-17(13)15)18-22-7-8-23(18)2;1-22-7-6-21-17(22)15-9-12-16(24-15)14(4-5-20-12)23-13-3-2-10(19)8-11(13)18;2*11-9(10-7-12)6-8-4-2-1-3-5-8;2*1-2-4-5-3-1/h3-13,15-16H,14H2,1-2H3,(H,31,34,36);2-12,14-15H,13H2,1H3,(H,30,34);2-12,14-15H,13H2,1H3,(H,29,31);3-10,20H,1-2H3;2-9H,19H2,1H3;2*1-5H,6H2;2*1-4H2.

What are the key properties of 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate)?

3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate) has a molecular weight of 2718.28 g/mol, XLogP of 32.54, 29 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;S-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl] 2-phenylethanethioate;N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-methylcarbamothioyl]-2-phenylacetamide;N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-phenylacetamide;3-fluoro-N-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;oxolane;bis(2-phenylacetyl isothiocyanate) is sourced from PubChem (CID 158705974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).