5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)

C124H167ClFN15S8 — CID 159318013

About 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)

5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) (PubChem CID 159318013) has the molecular formula C124H167ClFN15S8 and a molecular weight of 2178.79 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole).

Molecular Properties

• Compound Name: 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)
• PubChem CID: 159318013
• Molecular Formula: C124H167ClFN15S8
• Molecular Weight: 2178.79 g/mol
• Exact Mass: 2176.10
• IUPAC Name: 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)
• SMILES: CC(C)c1ncc(C(C)(C)C)s1.CC(C)c1ncc(N2CCCCC2)s1.CC(C)c1ncc(N2CCCCC2)s1.CC1CCN(c2cnc(C(C)C)s2)CC1.Cc1ccc(-c2cc(C(C)C)n(C)n2)cc1.Cc1ccc(-c2cc(C(C)C)nn2C)cc1.Cc1ccc(-c2cnc(C(C)C)s2)c(Cl)c1.Cc1ccc(-c2cnc(C(C)C)s2)c(F)c1.Cc1ccc(-c2cnc(C(C)C)s2)cc1.Cc1cccc(-c2cnc(C(C)C)s2)c1
• InChI: InChI=1S/2C14H18N2.C13H14ClNS.C13H14FNS.2C13H15NS.C12H20N2S.2C11H18N2S.C10H17NS/c1-10(2)14-9-13(15-16(14)4)12-7-5-11(3)6-8-12;1-10(2)13-9-14(16(4)15-13)12-7-5-11(3)6-8-12;2*1-8(2)13-15-7-12(16-13)10-5-4-9(3)6-11(10)14;1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-9(2)13-14-8-12(15-13)11-6-4-5-10(3)7-11;1-9(2)12-13-8-11(15-12)14-6-4-10(3)5-7-14;2*1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13;1-7(2)9-11-6-8(12-9)10(3,4)5/h2*5-10H,1-4H3;2*4-8H,1-3H3;2*4-9H,1-3H3;8-10H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;6-7H,1-5H3
• InChIKey: LDJYQUHVLNJRCE-UHFFFAOYSA-N
• XLogP: 38.38
• TPSA: 148.48 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2178.79
LogP ≤ 5	38.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)?

The IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) (CID 159318013) is 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole).

What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)?

The canonical SMILES for 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) is CC(C)c1ncc(C(C)(C)C)s1.CC(C)c1ncc(N2CCCCC2)s1.CC(C)c1ncc(N2CCCCC2)s1.CC1CCN(c2cnc(C(C)C)s2)CC1.Cc1ccc(-c2cc(C(C)C)n(C)n2)cc1.Cc1ccc(-c2cc(C(C)C)nn2C)cc1.Cc1ccc(-c2cnc(C(C)C)s2)c(Cl)c1.Cc1ccc(-c2cnc(C(C)C)s2)c(F)c1.Cc1ccc(-c2cnc(C(C)C)s2)cc1.Cc1cccc(-c2cnc(C(C)C)s2)c1.

What is the InChIKey of 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)?

The InChIKey is LDJYQUHVLNJRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18N2.C13H14ClNS.C13H14FNS.2C13H15NS.C12H20N2S.2C11H18N2S.C10H17NS/c1-10(2)14-9-13(15-16(14)4)12-7-5-11(3)6-8-12;1-10(2)13-9-14(16(4)15-13)12-7-5-11(3)6-8-12;2*1-8(2)13-15-7-12(16-13)10-5-4-9(3)6-11(10)14;1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-9(2)13-14-8-12(15-13)11-6-4-5-10(3)7-11;1-9(2)12-13-8-11(15-12)14-6-4-10(3)5-7-14;2*1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13;1-7(2)9-11-6-8(12-9)10(3,4)5/h2*5-10H,1-4H3;2*4-8H,1-3H3;2*4-9H,1-3H3;8-10H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;6-7H,1-5H3.

What are the key properties of 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)?

5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) has a molecular weight of 2178.79 g/mol, XLogP of 38.38, 19 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 159318013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).