2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine

C142H183Cl2F3N16OS7 — CID 159500832

About 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine

2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine (PubChem CID 159500832) has the molecular formula C142H183Cl2F3N16OS7 and a molecular weight of 2482.51 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine
• PubChem CID: 159500832
• Molecular Formula: C142H183Cl2F3N16OS7
• Molecular Weight: 2482.51 g/mol
• Exact Mass: 2479.21
• IUPAC Name: 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine
• SMILES: CC(C)(C)c1cccc(-c2ccc(N3CCCC3)cc2)n1.CC(C)(C)c1nc(-c2ccc(Cl)cc2N2CCCC2)cs1.CC(C)(C)c1nc(-c2ccc(N3CCCC3)cc2)c(F)s1.CC(C)(C)c1nc(-c2cccnc2Cl)cs1.CC1CCCN1c1ccc(-c2csc(C(C)(C)C)n2)cc1F.CCCc1sc(C(C)(C)C)nc1-c1ccc(N2CCCC2)c(C)c1.CCOc1ccc(-c2csc(C(C)(C)C)n2)c(N2CCCC2)c1.CCc1sc(C(C)(C)C)nc1-c1ccc(N2CCCC2)c(F)c1
• InChI: InChI=1S/C21H30N2S.C19H25FN2S.C19H26N2OS.C19H24N2.C18H23FN2S.C17H21ClN2S.C17H21FN2S.C12H13ClN2S/c1-6-9-18-19(22-20(24-18)21(3,4)5)16-10-11-17(15(2)14-16)23-12-7-8-13-23;1-5-16-17(21-18(23-16)19(2,3)4)13-8-9-15(14(20)12-13)22-10-6-7-11-22;1-5-22-14-8-9-15(17(12-14)21-10-6-7-11-21)16-13-23-18(20-16)19(2,3)4;1-19(2,3)18-8-6-7-17(20-18)15-9-11-16(12-10-15)21-13-4-5-14-21;1-12-6-5-9-21(12)16-8-7-13(10-14(16)19)15-11-22-17(20-15)18(2,3)4;1-17(2,3)16-19-14(11-21-16)13-7-6-12(18)10-15(13)20-8-4-5-9-20;1-17(2,3)16-19-14(15(18)21-16)12-6-8-13(9-7-12)20-10-4-5-11-20;1-12(2,3)11-15-9(7-16-11)8-5-4-6-14-10(8)13/h10-11,14H,6-9,12-13H2,1-5H3;8-9,12H,5-7,10-11H2,1-4H3;8-9,12-13H,5-7,10-11H2,1-4H3;6-12H,4-5,13-14H2,1-3H3;7-8,10-12H,5-6,9H2,1-4H3;6-7,10-11H,4-5,8-9H2,1-3H3;6-9H,4-5,10-11H2,1-3H3;4-7H,1-3H3
• InChIKey: LZJDLFHKQCFJRV-UHFFFAOYSA-N
• XLogP: 40.73
• TPSA: 147.92 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2482.51
LogP ≤ 5	40.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine?

The IUPAC name of 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine (CID 159500832) is 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine.

What is the SMILES notation for 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine?

The canonical SMILES for 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine is CC(C)(C)c1cccc(-c2ccc(N3CCCC3)cc2)n1.CC(C)(C)c1nc(-c2ccc(Cl)cc2N2CCCC2)cs1.CC(C)(C)c1nc(-c2ccc(N3CCCC3)cc2)c(F)s1.CC(C)(C)c1nc(-c2cccnc2Cl)cs1.CC1CCCN1c1ccc(-c2csc(C(C)(C)C)n2)cc1F.CCCc1sc(C(C)(C)C)nc1-c1ccc(N2CCCC2)c(C)c1.CCOc1ccc(-c2csc(C(C)(C)C)n2)c(N2CCCC2)c1.CCc1sc(C(C)(C)C)nc1-c1ccc(N2CCCC2)c(F)c1.

What is the InChIKey of 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine?

The InChIKey is LZJDLFHKQCFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2S.C19H25FN2S.C19H26N2OS.C19H24N2.C18H23FN2S.C17H21ClN2S.C17H21FN2S.C12H13ClN2S/c1-6-9-18-19(22-20(24-18)21(3,4)5)16-10-11-17(15(2)14-16)23-12-7-8-13-23;1-5-16-17(21-18(23-16)19(2,3)4)13-8-9-15(14(20)12-13)22-10-6-7-11-22;1-5-22-14-8-9-15(17(12-14)21-10-6-7-11-21)16-13-23-18(20-16)19(2,3)4;1-19(2,3)18-8-6-7-17(20-18)15-9-11-16(12-10-15)21-13-4-5-14-21;1-12-6-5-9-21(12)16-8-7-13(10-14(16)19)15-11-22-17(20-15)18(2,3)4;1-17(2,3)16-19-14(11-21-16)13-7-6-12(18)10-15(13)20-8-4-5-9-20;1-17(2,3)16-19-14(15(18)21-16)12-6-8-13(9-7-12)20-10-4-5-11-20;1-12(2,3)11-15-9(7-16-11)8-5-4-6-14-10(8)13/h10-11,14H,6-9,12-13H2,1-5H3;8-9,12H,5-7,10-11H2,1-4H3;8-9,12-13H,5-7,10-11H2,1-4H3;6-12H,4-5,13-14H2,1-3H3;7-8,10-12H,5-6,9H2,1-4H3;6-7,10-11H,4-5,8-9H2,1-3H3;6-9H,4-5,10-11H2,1-3H3;4-7H,1-3H3.

What are the key properties of 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine?

2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine has a molecular weight of 2482.51 g/mol, XLogP of 40.73, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-(2-chloro-3-pyridinyl)-1,3-thiazole;2-tert-butyl-4-(4-chloro-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(4-ethoxy-2-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-5-ethyl-4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole;2-tert-butyl-5-fluoro-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole;2-tert-butyl-4-(3-methyl-4-pyrrolidin-1-ylphenyl)-5-propyl-1,3-thiazole;2-tert-butyl-6-(4-pyrrolidin-1-ylphenyl)pyridine is sourced from PubChem (CID 159500832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).