4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline

C150H119F5N18O7S4 — CID 158520817

About 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline

4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline (PubChem CID 158520817) has the molecular formula C150H119F5N18O7S4 and a molecular weight of 2508.98 g/mol. Its IUPAC name is 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline.

Molecular Properties

• Compound Name: 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
• PubChem CID: 158520817
• Molecular Formula: C150H119F5N18O7S4
• Molecular Weight: 2508.98 g/mol
• Exact Mass: 2506.83
• IUPAC Name: 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
• SMILES: COc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(C)c1O.COc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(O)c1C.Cc1cc(-c2ncc(NCc3ccc(O)c(F)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(O)c(O)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1.c1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(C2CC2)c1
• InChI: InChI=1S/2C28H24FN3O2S.C26H19F2N3OS.C26H20FN3O2S.C22H17N3.C20H15N3/c1-16-9-20(4-6-23(16)29)27-22(19-5-7-24-26(11-19)35-15-32-24)12-21(14-31-27)30-13-18-8-17(2)28(33)25(10-18)34-3;1-16-8-20(4-6-23(16)29)28-22(19-5-7-24-27(11-19)35-15-32-24)12-21(14-31-28)30-13-18-9-25(33)17(2)26(10-18)34-3;1-15-8-18(3-5-21(15)27)26-20(17-4-6-23-25(10-17)33-14-31-23)11-19(13-30-26)29-12-16-2-7-24(32)22(28)9-16;1-15-8-18(3-5-21(15)27)26-20(17-4-6-22-25(10-17)33-14-30-22)11-19(13-29-26)28-12-16-2-7-23(31)24(32)9-16;1-3-16(15-6-7-15)11-18(4-1)22-20(5-2-10-24-22)17-8-9-21-19(12-17)13-23-14-25-21;1-14-4-2-5-16(10-14)20-18(6-3-9-22-20)15-7-8-19-17(11-15)12-21-13-23-19/h2*4-12,14-15,30,33H,13H2,1-3H3;2-11,13-14,29,32H,12H2,1H3;2-11,13-14,28,31-32H,12H2,1H3;1-5,8-15H,6-7H2;2-13H,1H3
• InChIKey: HMEMFBNDXDTYRF-UHFFFAOYSA-N
• XLogP: 37.54
• TPSA: 348.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2508.98
LogP ≤ 5	37.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?

The IUPAC name of 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline (CID 158520817) is 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline.

What is the SMILES notation for 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?

The canonical SMILES for 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline is COc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(C)c1O.COc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc(O)c1C.Cc1cc(-c2ncc(NCc3ccc(O)c(F)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(O)c(O)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1.c1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(C2CC2)c1.

What is the InChIKey of 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?

The InChIKey is HMEMFBNDXDTYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H24FN3O2S.C26H19F2N3OS.C26H20FN3O2S.C22H17N3.C20H15N3/c1-16-9-20(4-6-23(16)29)27-22(19-5-7-24-26(11-19)35-15-32-24)12-21(14-31-27)30-13-18-8-17(2)28(33)25(10-18)34-3;1-16-8-20(4-6-23(16)29)28-22(19-5-7-24-27(11-19)35-15-32-24)12-21(14-31-28)30-13-18-9-25(33)17(2)26(10-18)34-3;1-15-8-18(3-5-21(15)27)26-20(17-4-6-23-25(10-17)33-14-31-23)11-19(13-30-26)29-12-16-2-7-24(32)22(28)9-16;1-15-8-18(3-5-21(15)27)26-20(17-4-6-22-25(10-17)33-14-30-22)11-19(13-29-26)28-12-16-2-7-23(31)24(32)9-16;1-3-16(15-6-7-15)11-18(4-1)22-20(5-2-10-24-22)17-8-9-21-19(12-17)13-23-14-25-21;1-14-4-2-5-16(10-14)20-18(6-3-9-22-20)15-7-8-19-17(11-15)12-21-13-23-19/h2*4-12,14-15,30,33H,13H2,1-3H3;2-11,13-14,29,32H,12H2,1H3;2-11,13-14,28,31-32H,12H2,1H3;1-5,8-15H,6-7H2;2-13H,1H3.

What are the key properties of 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?

4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline has a molecular weight of 2508.98 g/mol, XLogP of 37.54, 27 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]benzene-1,2-diol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-fluorophenol;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline is sourced from PubChem (CID 158520817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).