5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene

C113H171F6N11O10S2 — CID 161141298

About 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene

5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene (PubChem CID 161141298) has the molecular formula C113H171F6N11O10S2 and a molecular weight of 2021.80 g/mol. Its IUPAC name is 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene
• PubChem CID: 161141298
• Molecular Formula: C113H171F6N11O10S2
• Molecular Weight: 2021.80 g/mol
• Exact Mass: 2020.26
• IUPAC Name: 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene
• SMILES: CC(C)(C)CCN1C(=O)NC2(CCCCC2)C1=O.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(Nc2ncccn2)c1.CC(OCC1CC1)C(C)(C)C.COCc1nc(C)c(C(C)(C)C)s1.COc1cc(C(C)(C)C)ccc1OCC(N)=O.COc1ccc(CCC(C)(C)C)cc1OC.Cc1c(C(C)(C)C)cnn1-c1ccc(C(F)(F)F)cn1.Cc1nc(CC(C)C)sc1C(C)(C)C
• InChI: InChI=1S/C14H16F3N3.C14H17N3.C14H24N2O2.C14H22O2.C13H19NO3.C12H15F3O.C12H21NS.C10H17NOS.C10H20O/c1-9-11(13(2,3)4)8-19-20(9)12-6-5-10(7-18-12)14(15,16)17;1-14(2,3)11-6-4-7-12(10-11)17-13-15-8-5-9-16-13;1-13(2,3)9-10-16-11(17)14(15-12(16)18)7-5-4-6-8-14;1-14(2,3)9-8-11-6-7-12(15-4)13(10-11)16-5;1-13(2,3)9-5-6-10(11(7-9)16-4)17-8-12(14)15;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;1-8(2)7-10-13-9(3)11(14-10)12(4,5)6;1-7-9(10(2,3)4)13-8(11-7)6-12-5;1-8(10(2,3)4)11-7-9-5-6-9/h5-8H,1-4H3;4-10H,1-3H3,(H,15,16,17);4-10H2,1-3H3,(H,15,18);6-7,10H,8-9H2,1-5H3;5-7H,8H2,1-4H3,(H2,14,15);4-7H,8H2,1-3H3;8H,7H2,1-6H3;6H2,1-5H3;8-9H,5-7H2,1-4H3
• InChIKey: UNMCTYXIXGQTLL-UHFFFAOYSA-N
• XLogP: 29.49
• TPSA: 251.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2021.80
LogP ≤ 5	29.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene?

The IUPAC name of 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene (CID 161141298) is 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene.

What is the SMILES notation for 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene?

The canonical SMILES for 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene is CC(C)(C)CCN1C(=O)NC2(CCCCC2)C1=O.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(Nc2ncccn2)c1.CC(OCC1CC1)C(C)(C)C.COCc1nc(C)c(C(C)(C)C)s1.COc1cc(C(C)(C)C)ccc1OCC(N)=O.COc1ccc(CCC(C)(C)C)cc1OC.Cc1c(C(C)(C)C)cnn1-c1ccc(C(F)(F)F)cn1.Cc1nc(CC(C)C)sc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene?

The InChIKey is UNMCTYXIXGQTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3.C14H17N3.C14H24N2O2.C14H22O2.C13H19NO3.C12H15F3O.C12H21NS.C10H17NOS.C10H20O/c1-9-11(13(2,3)4)8-19-20(9)12-6-5-10(7-18-12)14(15,16)17;1-14(2,3)11-6-4-7-12(10-11)17-13-15-8-5-9-16-13;1-13(2,3)9-10-16-11(17)14(15-12(16)18)7-5-4-6-8-14;1-14(2,3)9-8-11-6-7-12(15-4)13(10-11)16-5;1-13(2,3)9-5-6-10(11(7-9)16-4)17-8-12(14)15;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;1-8(2)7-10-13-9(3)11(14-10)12(4,5)6;1-7-9(10(2,3)4)13-8(11-7)6-12-5;1-8(10(2,3)4)11-7-9-5-6-9/h5-8H,1-4H3;4-10H,1-3H3,(H,15,16,17);4-10H2,1-3H3,(H,15,18);6-7,10H,8-9H2,1-5H3;5-7H,8H2,1-4H3,(H2,14,15);4-7H,8H2,1-3H3;8H,7H2,1-6H3;6H2,1-5H3;8-9H,5-7H2,1-4H3.

What are the key properties of 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene?

5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene has a molecular weight of 2021.80 g/mol, XLogP of 29.49, 22 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-(methoxymethyl)-4-methyl-1,3-thiazole;2-(4-tert-butyl-2-methoxyphenoxy)acetamide;5-tert-butyl-4-methyl-2-(2-methylpropyl)-1,3-thiazole;2-(4-tert-butyl-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;N-(3-tert-butylphenyl)pyrimidin-2-amine;3,3-dimethylbutan-2-yloxymethylcyclopropane;3-(3,3-dimethylbutyl)-1,3-diazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethylbutyl)-1,2-dimethoxybenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 161141298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).