5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

C85H99F9N12S6 — CID 159553244

About 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (PubChem CID 159553244) has the molecular formula C85H99F9N12S6 and a molecular weight of 1652.19 g/mol. Its IUPAC name is 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
• PubChem CID: 159553244
• Molecular Formula: C85H99F9N12S6
• Molecular Weight: 1652.19 g/mol
• Exact Mass: 1650.63
• IUPAC Name: 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
• SMILES: CCc1nc(-c2cccnc2)sc1C(C)C(C)C.CCc1nc(-c2cccnc2)sc1C(C)C(F)(F)F.CCc1nc(-c2cccnc2)sc1C(C)C1CC1.CCc1nc(-c2cncc(F)c2)sc1C(C)(C)C.CCc1nc(-c2cncc(F)c2)sc1C(C)C(C)C.CCc1nc(-c2cncc(F)c2)sc1C(C)C(F)(F)F
• InChI: InChI=1S/C15H19FN2S.C15H18N2S.C15H20N2S.C14H17FN2S.C13H12F4N2S.C13H13F3N2S/c1-5-13-14(10(4)9(2)3)19-15(18-13)11-6-12(16)8-17-7-11;1-3-13-14(10(2)11-6-7-11)18-15(17-13)12-5-4-8-16-9-12;1-5-13-14(11(4)10(2)3)18-15(17-13)12-7-6-8-16-9-12;1-5-11-12(14(2,3)4)18-13(17-11)9-6-10(15)8-16-7-9;1-3-10-11(7(2)13(15,16)17)20-12(19-10)8-4-9(14)6-18-5-8;1-3-10-11(8(2)13(14,15)16)19-12(18-10)9-5-4-6-17-7-9/h6-10H,5H2,1-4H3;4-5,8-11H,3,6-7H2,1-2H3;6-11H,5H2,1-4H3;6-8H,5H2,1-4H3;4-7H,3H2,1-2H3;4-8H,3H2,1-2H3
• InChIKey: MFQXZZPQPDFEIZ-UHFFFAOYSA-N
• XLogP: 26.68
• TPSA: 154.68 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1652.19
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?

The IUPAC name of 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (CID 159553244) is 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.

What is the SMILES notation for 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?

The canonical SMILES for 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is CCc1nc(-c2cccnc2)sc1C(C)C(C)C.CCc1nc(-c2cccnc2)sc1C(C)C(F)(F)F.CCc1nc(-c2cccnc2)sc1C(C)C1CC1.CCc1nc(-c2cncc(F)c2)sc1C(C)(C)C.CCc1nc(-c2cncc(F)c2)sc1C(C)C(C)C.CCc1nc(-c2cncc(F)c2)sc1C(C)C(F)(F)F.

What is the InChIKey of 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?

The InChIKey is MFQXZZPQPDFEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S.C15H18N2S.C15H20N2S.C14H17FN2S.C13H12F4N2S.C13H13F3N2S/c1-5-13-14(10(4)9(2)3)19-15(18-13)11-6-12(16)8-17-7-11;1-3-13-14(10(2)11-6-7-11)18-15(17-13)12-5-4-8-16-9-12;1-5-13-14(11(4)10(2)3)18-15(17-13)12-7-6-8-16-9-12;1-5-11-12(14(2,3)4)18-13(17-11)9-6-10(15)8-16-7-9;1-3-10-11(7(2)13(15,16)17)20-12(19-10)8-4-9(14)6-18-5-8;1-3-10-11(8(2)13(14,15)16)19-12(18-10)9-5-4-6-17-7-9/h6-10H,5H2,1-4H3;4-5,8-11H,3,6-7H2,1-2H3;6-11H,5H2,1-4H3;6-8H,5H2,1-4H3;4-7H,3H2,1-2H3;4-8H,3H2,1-2H3.

What are the key properties of 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?

5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole has a molecular weight of 1652.19 g/mol, XLogP of 26.68, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-4-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;5-(1-cyclopropylethyl)-4-ethyl-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(3-methylbutan-2-yl)-1,3-thiazole;4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;4-ethyl-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole;4-ethyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 159553244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).