5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole

C83H89F9N16S7 — CID 162183791

About 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole

5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 162183791) has the molecular formula C83H89F9N16S7 and a molecular weight of 1706.19 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole
• PubChem CID: 162183791
• Molecular Formula: C83H89F9N16S7
• Molecular Weight: 1706.19 g/mol
• Exact Mass: 1704.54
• IUPAC Name: 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole
• SMILES: CCc1sc(-c2cccnc2)nc1C.CCc1sc(-c2cncc(F)c2)nc1C.Cc1nc(-c2cccnc2)sc1C(C)(C)C.Cc1nc(-c2cccnc2)sc1C(C)C.Cc1nc(-c2cccnc2)sc1N(C)CC(F)(F)F.Cc1nc(-c2cncc(F)c2)sc1C(C)C.Cc1nc(-c2cncc(F)c2)sc1N(C)CC(F)(F)F
• InChI: InChI=1S/C13H16N2S.C12H11F4N3S.C12H12F3N3S.C12H13FN2S.C12H14N2S.C11H11FN2S.C11H12N2S/c1-9-11(13(2,3)4)16-12(15-9)10-6-5-7-14-8-10;1-7-11(19(2)6-12(14,15)16)20-10(18-7)8-3-9(13)5-17-4-8;1-8-11(18(2)7-12(13,14)15)19-10(17-8)9-4-3-5-16-6-9;1-7(2)11-8(3)15-12(16-11)9-4-10(13)6-14-5-9;1-8(2)11-9(3)14-12(15-11)10-5-4-6-13-7-10;1-3-10-7(2)14-11(15-10)8-4-9(12)6-13-5-8;1-3-10-8(2)13-11(14-10)9-5-4-6-12-7-9/h5-8H,1-4H3;3-5H,6H2,1-2H3;3-6H,7H2,1-2H3;4-7H,1-3H3;4-8H,1-3H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3
• InChIKey: ZPJVJGNZGFMIRE-UHFFFAOYSA-N
• XLogP: 24.68
• TPSA: 186.94 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1706.19
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?

The IUPAC name of 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole (CID 162183791) is 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole.

What is the SMILES notation for 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?

The canonical SMILES for 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole is CCc1sc(-c2cccnc2)nc1C.CCc1sc(-c2cncc(F)c2)nc1C.Cc1nc(-c2cccnc2)sc1C(C)(C)C.Cc1nc(-c2cccnc2)sc1C(C)C.Cc1nc(-c2cccnc2)sc1N(C)CC(F)(F)F.Cc1nc(-c2cncc(F)c2)sc1C(C)C.Cc1nc(-c2cncc(F)c2)sc1N(C)CC(F)(F)F.

What is the InChIKey of 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?

The InChIKey is ZPJVJGNZGFMIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S.C12H11F4N3S.C12H12F3N3S.C12H13FN2S.C12H14N2S.C11H11FN2S.C11H12N2S/c1-9-11(13(2,3)4)16-12(15-9)10-6-5-7-14-8-10;1-7-11(19(2)6-12(14,15)16)20-10(18-7)8-3-9(13)5-17-4-8;1-8-11(18(2)7-12(13,14)15)19-10(17-8)9-4-3-5-16-6-9;1-7(2)11-8(3)15-12(16-11)9-4-10(13)6-14-5-9;1-8(2)11-9(3)14-12(15-11)10-5-4-6-13-7-10;1-3-10-7(2)14-11(15-10)8-4-9(12)6-13-5-8;1-3-10-8(2)13-11(14-10)9-5-4-6-12-7-9/h5-8H,1-4H3;3-5H,6H2,1-2H3;3-6H,7H2,1-2H3;4-7H,1-3H3;4-8H,1-3H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3.

What are the key properties of 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?

5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 1706.19 g/mol, XLogP of 24.68, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;N,4-dimethyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole;5-ethyl-4-methyl-2-pyridin-3-yl-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-4-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 162183791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).