4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane

C202H323N29O3S13 — CID 157169946

About 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane

4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane (PubChem CID 157169946) has the molecular formula C202H323N29O3S13 and a molecular weight of 3622.88 g/mol. Its IUPAC name is 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane.

Molecular Properties

• Compound Name: 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane
• PubChem CID: 157169946
• Molecular Formula: C202H323N29O3S13
• Molecular Weight: 3622.88 g/mol
• Exact Mass: 3619.24
• IUPAC Name: 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)(C)c1nc(Cc2ccccc2)cs1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncc(-c2ccccc2)s1.CC(C)(C)c1nccs1.CC(C)(C)c1nnc(-c2ccccc2)o1.CC(C)(C)c1nnc(-c2ccccc2)s1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CCc1csc(C(C)(C)C)n1.Cc1cc(C)nc(C(C)(C)C)n1.Cc1ccc2sc(C(C)(C)C)nc2c1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)s1.Cc1csc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1.Cc1nnc(C(C)(C)C)s1
• InChI: InChI=1S/C14H17NS.2C13H15NS.C12H14N2O.C12H14N2S.C12H15NS.C11H14N2.C11H13NS.C10H12N2S.C10H16N2.C9H14N2.C9H15NS.2C8H13NS.C7H12N2O.C7H12N2S.C7H11NS.C6H10N2O.C6H10N2S.17CH4/c1-14(2,3)13-15-12(10-16-13)9-11-7-5-4-6-8-11;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;2*1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-8-5-6-10-9(7-8)13-11(14-10)12(2,3)4;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-7-6-8(2)12-9(11-7)10(3,4)5;1-7-5-6-10-8(11-7)9(2,3)4;1-5-7-6-11-8(10-7)9(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;2*1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-8-7-4-9-5;;;;;;;;;;;;;;;;;/h4-8,10H,9H2,1-3H3;2*4-9H,1-3H3;2*4-8H,1-3H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;6H,1-5H3;5-6H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3;2*1-4H3;4-5H,1-3H3;2*4H,1-3H3;17*1H4
• InChIKey: ANIQNTUBSZNSRN-UHFFFAOYSA-N
• XLogP: 65.38
• TPSA: 416.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 44
• Rotatable Bonds: 7
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3622.88
LogP ≤ 5	65.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane?

The IUPAC name of 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane (CID 157169946) is 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane.

What is the SMILES notation for 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane?

The canonical SMILES for 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)(C)c1nc(Cc2ccccc2)cs1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncc(-c2ccccc2)s1.CC(C)(C)c1nccs1.CC(C)(C)c1nnc(-c2ccccc2)o1.CC(C)(C)c1nnc(-c2ccccc2)s1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CCc1csc(C(C)(C)C)n1.Cc1cc(C)nc(C(C)(C)C)n1.Cc1ccc2sc(C(C)(C)C)nc2c1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)s1.Cc1csc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)o1.Cc1nnc(C(C)(C)C)s1.

What is the InChIKey of 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane?

The InChIKey is ANIQNTUBSZNSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS.2C13H15NS.C12H14N2O.C12H14N2S.C12H15NS.C11H14N2.C11H13NS.C10H12N2S.C10H16N2.C9H14N2.C9H15NS.2C8H13NS.C7H12N2O.C7H12N2S.C7H11NS.C6H10N2O.C6H10N2S.17CH4/c1-14(2,3)13-15-12(10-16-13)9-11-7-5-4-6-8-11;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;2*1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-8-5-6-10-9(7-8)13-11(14-10)12(2,3)4;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-7-6-8(2)12-9(11-7)10(3,4)5;1-7-5-6-10-8(11-7)9(2,3)4;1-5-7-6-11-8(10-7)9(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;2*1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-8-7-4-9-5;;;;;;;;;;;;;;;;;/h4-8,10H,9H2,1-3H3;2*4-9H,1-3H3;2*4-8H,1-3H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;6H,1-5H3;5-6H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3;2*1-4H3;4-5H,1-3H3;2*4H,1-3H3;17*1H4.

What are the key properties of 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane?

4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane has a molecular weight of 3622.88 g/mol, XLogP of 65.38, 7 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-2-tert-butyl-1,3-thiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4,6-dimethylpyrimidine;2-tert-butyl-4-ethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;methane is sourced from PubChem (CID 157169946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).