(Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole

C143H105F5N17O6S5- — CID 158654779

About (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole

(Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole (PubChem CID 158654779) has the molecular formula C143H105F5N17O6S5- and a molecular weight of 2412.85 g/mol. Its IUPAC name is (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole
• PubChem CID: 158654779
• Molecular Formula: C143H105F5N17O6S5-
• Molecular Weight: 2412.85 g/mol
• Exact Mass: 2410.70
• IUPAC Name: (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole
• SMILES: CC(=O)Cc1cccc(-c2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)c1.Cc1cc(-c2ncc(-c3cccc(NS(=O)[O-])c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(-c3cccc(O)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nc[nH]c(=O)c3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc2c1=O.[H]/N=C/C(=C\N)c1cnc(-c2ccc(F)c(C)c2)c(-c2ccc3ncsc3c2)c1
• InChI: InChI=1S/C28H21FN2OS.C25H18FN3O2S2.C25H17FN2OS.C23H19N3O.C22H17FN4S.C20H14FN3O/c1-17-10-22(6-8-25(17)29)28-24(21-7-9-26-27(14-21)33-16-31-26)13-23(15-30-28)20-5-3-4-19(12-20)11-18(2)32;1-15-9-18(5-7-22(15)26)25-21(17-6-8-23-24(12-17)32-14-28-23)11-19(13-27-25)16-3-2-4-20(10-16)29-33(30)31;1-15-9-18(5-7-22(15)26)25-21(17-6-8-23-24(12-17)30-14-28-23)11-19(13-27-25)16-3-2-4-20(29)10-16;1-26-14-25-21-10-9-17(13-20(21)23(26)27)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-13-6-15(2-4-19(13)23)22-18(7-16(11-26-22)17(9-24)10-25)14-3-5-20-21(8-14)28-12-27-20;1-12-9-14(4-6-17(12)21)19-15(3-2-8-22-19)13-5-7-18-16(10-13)20(25)24-11-23-18/h3-10,12-16H,11H2,1-2H3;2-14,29H,1H3,(H,30,31);2-14,29H,1H3;2-6,9-15H,7-8H2,1H3;2-12,24H,25H2,1H3;2-11H,1H3,(H,23,24,25)/p-1/b;;;;17-10+,24-9+
• InChIKey: ZHBIJWBVIVIGDL-OTBVYDKQSA-M
• XLogP: 34.52
• TPSA: 348.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2412.85
LogP ≤ 5	34.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole?

The IUPAC name of (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole (CID 158654779) is (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole.

What is the SMILES notation for (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole?

The canonical SMILES for (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole is CC(=O)Cc1cccc(-c2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)c1.Cc1cc(-c2ncc(-c3cccc(NS(=O)[O-])c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(-c3cccc(O)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nc[nH]c(=O)c3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc2c1=O.[H]/N=C/C(=C\N)c1cnc(-c2ccc(F)c(C)c2)c(-c2ccc3ncsc3c2)c1.

What is the InChIKey of (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole?

The InChIKey is ZHBIJWBVIVIGDL-OTBVYDKQSA-M. The full InChI is InChI=1S/C28H21FN2OS.C25H18FN3O2S2.C25H17FN2OS.C23H19N3O.C22H17FN4S.C20H14FN3O/c1-17-10-22(6-8-25(17)29)28-24(21-7-9-26-27(14-21)33-16-31-26)13-23(15-30-28)20-5-3-4-19(12-20)11-18(2)32;1-15-9-18(5-7-22(15)26)25-21(17-6-8-23-24(12-17)32-14-28-23)11-19(13-27-25)16-3-2-4-20(10-16)29-33(30)31;1-15-9-18(5-7-22(15)26)25-21(17-6-8-23-24(12-17)30-14-28-23)11-19(13-27-25)16-3-2-4-20(29)10-16;1-26-14-25-21-10-9-17(13-20(21)23(26)27)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-13-6-15(2-4-19(13)23)22-18(7-16(11-26-22)17(9-24)10-25)14-3-5-20-21(8-14)28-12-27-20;1-12-9-14(4-6-17(12)21)19-15(3-2-8-22-19)13-5-7-18-16(10-13)20(25)24-11-23-18/h3-10,12-16H,11H2,1-2H3;2-14,29H,1H3,(H,30,31);2-14,29H,1H3;2-6,9-15H,7-8H2,1H3;2-12,24H,25H2,1H3;2-11H,1H3,(H,23,24,25)/p-1/b;;;;17-10+,24-9+;.

What are the key properties of (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole?

(Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 2412.85 g/mol, XLogP of 34.52, 22 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 158654779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).