5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine

C112H74Cl3F4N21S6 — CID 161372730

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 161372730) has the molecular formula C112H74Cl3F4N21S6 and a molecular weight of 2088.72 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 161372730
• Molecular Formula: C112H74Cl3F4N21S6
• Molecular Weight: 2088.72 g/mol
• Exact Mass: 2085.38
• IUPAC Name: 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
• SMILES: Cc1cc(-c2ncc(NCc3cccnc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncsc3n2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncsc3n2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3n2)cc1Cl.Nc1nc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)nc2s1.Nc1nc2ccc(-c3cccnc3-c3cccc(Cl)c3)nc2s1
• InChI: InChI=1S/C25H19FN4S.C18H12FN3S.C18H13N3S.C17H10ClFN4S.C17H9ClFN3S.C17H11ClN4S/c1-16-9-19(4-6-22(16)26)25-21(18-5-7-23-24(10-18)31-15-30-23)11-20(14-29-25)28-13-17-3-2-8-27-12-17;1-11-9-12(4-5-14(11)19)17-13(3-2-8-20-17)15-6-7-16-18(22-15)23-10-21-16;1-12-4-2-5-13(10-12)17-14(6-3-9-19-17)15-7-8-16-18(21-15)22-11-20-16;18-11-8-9(3-4-12(11)19)15-10(2-1-7-21-15)13-5-6-14-16(22-13)24-17(20)23-14;18-12-8-10(3-4-13(12)19)16-11(2-1-7-20-16)14-5-6-15-17(22-14)23-9-21-15;18-11-4-1-3-10(9-11)15-12(5-2-8-20-15)13-6-7-14-16(21-13)23-17(19)22-14/h2-12,14-15,28H,13H2,1H3;2-10H,1H3;2-11H,1H3;1-8H,(H2,20,23);1-9H;1-9H,(H2,19,22)
• InChIKey: VQRFTENSRLPKIC-UHFFFAOYSA-N
• XLogP: 30.74
• TPSA: 296.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.72
LogP ≤ 5	30.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (CID 161372730) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is Cc1cc(-c2ncc(NCc3cccnc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncsc3n2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncsc3n2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3n2)cc1Cl.Nc1nc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)nc2s1.Nc1nc2ccc(-c3cccnc3-c3cccc(Cl)c3)nc2s1.

What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is VQRFTENSRLPKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4S.C18H12FN3S.C18H13N3S.C17H10ClFN4S.C17H9ClFN3S.C17H11ClN4S/c1-16-9-19(4-6-22(16)26)25-21(18-5-7-23-24(10-18)31-15-30-23)11-20(14-29-25)28-13-17-3-2-8-27-12-17;1-11-9-12(4-5-14(11)19)17-13(3-2-8-20-17)15-6-7-16-18(22-15)23-10-21-16;1-12-4-2-5-13(10-12)17-14(6-3-9-19-17)15-7-8-16-18(21-15)22-11-20-16;18-11-8-9(3-4-12(11)19)15-10(2-1-7-21-15)13-5-6-14-16(22-13)24-17(20)23-14;18-12-8-10(3-4-13(12)19)16-11(2-1-7-20-16)14-5-6-15-17(22-14)23-9-21-15;18-11-4-1-3-10(9-11)15-12(5-2-8-20-15)13-6-7-14-16(21-13)23-17(19)22-14/h2-12,14-15,28H,13H2,1H3;2-10H,1H3;2-11H,1H3;1-8H,(H2,20,23);1-9H;1-9H,(H2,19,22).

What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2088.72 g/mol, XLogP of 30.74, 15 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 161372730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).