5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline

C131H114F4N18O4S3 — CID 162145729

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline (PubChem CID 162145729) has the molecular formula C131H114F4N18O4S3 and a molecular weight of 2176.67 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
• PubChem CID: 162145729
• Molecular Formula: C131H114F4N18O4S3
• Molecular Weight: 2176.67 g/mol
• Exact Mass: 2174.84
• IUPAC Name: 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
• SMILES: COc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(C)c3)cc12.Cc1cc(-c2ncc(NCc3ccc(N4CCC(O)CC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(N4CCN(C)CC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)ccc1O
• InChI: InChI=1S/C31H30FN5S.C31H29FN4OS.C27H22FN3OS.C21H16FN3O.C21H17N3O/c1-21-15-24(5-9-28(21)32)31-27(23-6-10-29-30(16-23)38-20-35-29)17-25(19-34-31)33-18-22-3-7-26(8-4-22)37-13-11-36(2)12-14-37;1-20-14-23(4-8-28(20)32)31-27(22-5-9-29-30(15-22)38-19-35-29)16-24(18-34-31)33-17-21-2-6-25(7-3-21)36-12-10-26(37)11-13-36;1-16-10-20(4-6-23(16)28)27-22(19-5-7-24-26(11-19)33-15-31-24)12-21(14-30-27)29-13-18-3-8-25(32)17(2)9-18;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26-2)25-12-24-19;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25-2)24-13-23-19/h3-10,15-17,19-20,33H,11-14,18H2,1-2H3;2-9,14-16,18-19,26,33,37H,10-13,17H2,1H3;3-12,14-15,29,32H,13H2,1-2H3;3-12H,1-2H3;3-13H,1-2H3
• InChIKey: ZKNIIDQWRVUEDU-UHFFFAOYSA-N
• XLogP: 30.47
• TPSA: 259.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2176.67
LogP ≤ 5	30.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?

The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline (CID 162145729) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline.

What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?

The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline is COc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(C)c3)cc12.Cc1cc(-c2ncc(NCc3ccc(N4CCC(O)CC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(N4CCN(C)CC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)ccc1O.

What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?

The InChIKey is ZKNIIDQWRVUEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN5S.C31H29FN4OS.C27H22FN3OS.C21H16FN3O.C21H17N3O/c1-21-15-24(5-9-28(21)32)31-27(23-6-10-29-30(16-23)38-20-35-29)17-25(19-34-31)33-18-22-3-7-26(8-4-22)37-13-11-36(2)12-14-37;1-20-14-23(4-8-28(20)32)31-27(22-5-9-29-30(15-22)38-19-35-29)16-24(18-34-31)33-17-21-2-6-25(7-3-21)36-12-10-26(37)11-13-36;1-16-10-20(4-6-23(16)28)27-22(19-5-7-24-26(11-19)33-15-31-24)12-21(14-30-27)29-13-18-3-8-25(32)17(2)9-18;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26-2)25-12-24-19;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25-2)24-13-23-19/h3-10,15-17,19-20,33H,11-14,18H2,1-2H3;2-9,14-16,18-19,26,33,37H,10-13,17H2,1H3;3-12,14-15,29,32H,13H2,1-2H3;3-12H,1-2H3;3-13H,1-2H3.

What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline?

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline has a molecular weight of 2176.67 g/mol, XLogP of 30.47, 23 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline is sourced from PubChem (CID 162145729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).