3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid

C77H58F6N10O9S6 — CID 157098446

About 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid

3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid (PubChem CID 157098446) has the molecular formula C77H58F6N10O9S6 and a molecular weight of 1573.76 g/mol. Its IUPAC name is 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid.

Molecular Properties

• Compound Name: 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid
• PubChem CID: 157098446
• Molecular Formula: C77H58F6N10O9S6
• Molecular Weight: 1573.76 g/mol
• Exact Mass: 1572.26
• IUPAC Name: 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid
• SMILES: Cn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)CS(=O)(=O)c4ccc(F)cc4)cc3F)c2s1.Cn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)CSc4ccc(F)cc4)cc3F)c2s1.Cn1ccnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1.O=C(O)CSc1ccc(F)cc1
• InChI: InChI=1S/C26H19F2N3O4S2.C26H19F2N3O2S2.C17H13FN4OS.C8H7FO2S/c1-31-11-10-30-26(31)24-14-21-25(36-24)23(8-9-29-21)35-22-7-2-16(13-20(22)28)12-18(32)15-37(33,34)19-5-3-17(27)4-6-19;1-31-11-10-30-26(31)24-14-21-25(35-24)23(8-9-29-21)33-22-7-2-16(13-20(22)28)12-18(32)15-34-19-5-3-17(27)4-6-19;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;9-6-1-3-7(4-2-6)12-5-8(10)11/h2-11,13-14H,12,15H2,1H3;2-11,13-14H,12,15H2,1H3;2-9H,19H2,1H3;1-4H,5H2,(H,10,11)
• InChIKey: AFMFDCUYJJBPFY-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 251.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1573.76
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', '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;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid?

The IUPAC name of 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid (CID 157098446) is 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid.

What is the SMILES notation for 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid?

The canonical SMILES for 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid is Cn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)CS(=O)(=O)c4ccc(F)cc4)cc3F)c2s1.Cn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)CSc4ccc(F)cc4)cc3F)c2s1.Cn1ccnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1.O=C(O)CSc1ccc(F)cc1.

What is the InChIKey of 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid?

The InChIKey is AFMFDCUYJJBPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O4S2.C26H19F2N3O2S2.C17H13FN4OS.C8H7FO2S/c1-31-11-10-30-26(31)24-14-21-25(36-24)23(8-9-29-21)35-22-7-2-16(13-20(22)28)12-18(32)15-37(33,34)19-5-3-17(27)4-6-19;1-31-11-10-30-26(31)24-14-21-25(35-24)23(8-9-29-21)33-22-7-2-16(13-20(22)28)12-18(32)15-34-19-5-3-17(27)4-6-19;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;9-6-1-3-7(4-2-6)12-5-8(10)11/h2-11,13-14H,12,15H2,1H3;2-11,13-14H,12,15H2,1H3;2-9H,19H2,1H3;1-4H,5H2,(H,10,11).

What are the key properties of 3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid?

3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid has a molecular weight of 1573.76 g/mol, XLogP of 18.24, 22 rotatable bonds, 2 hydrogen bond donors, and 23 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;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfanylpropan-2-one;1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-fluorophenyl)sulfonylpropan-2-one;2-(4-fluorophenyl)sulfanylacetic acid is sourced from PubChem (CID 157098446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).