4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole

C219H357N43O2S18 — CID 158102629

IUPAC4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole
SMILESCC(C)c1cccs1.CC(C)c1cncs1.CC(C)c1cnsc1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nncn1C.CC(C)c1nnco1.Cc1cc(C(C)C)sc1C.Cc1cc(C)c(C(C)C)s1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cnc(C(C)C)s1.Cc1cncn1C(C)C.Cc1cnn(C(C)C)n1.Cc1csc(C(C)C)c1.Cc1csc(C(C)C)c1C.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C(C)C)s1.Cc1nc(C)n(C(C)C)c1C.Cc1ncc(C(C)C)s1.Cc1nccn1C(C)C.Cc1ncn(C(C)C)c1C.Cc1ncsc1C(C)C.Cc1nn(C(C)C)nc1C.Cc1nnc(C(C)C)o1.Cc1nsc(C)c1C(C)C.Cc1sncc1C(C)C
InChIInChI=1S/C9H16N2.3C9H14S.C8H14N2.3C8H13NS.3C8H12S.C7H13N3.3C7H12N2.5C7H11NS.C7H10S.3C6H11N3.C6H10N2O.3C6H9NS.2C5H9N3.C5H8N2O/c1-6(2)11-8(4)7(3)10-9(11)5;1-6(2)9-8(4)7(3)5-10-9;1-6(2)9-5-7(3)8(4)10-9;1-6(2)9-7(3)5-8(4)10-9;1-6(2)10-5-9-7(3)8(10)4;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-9-6(3)7(4)10-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-5(2)10-8-6(3)7(4)9-10;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-8-4-7(9)3;1-6(2)9-5-4-8-7(9)3;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-7-4-9(3)8-6;1-5(2)9-7-4-6(3)8-9;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5/h6H,1-5H3;4*5-6H,1-4H3;3*5H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;3*4-6H,1-3H3;5*4-5H,1-3H3;3-6H,1-2H3;3*4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4H,1-2H3
InChIKeyFPLIETJPRUVLEW-UHFFFAOYSA-N
MW4201.77 g/mol
LogP70.06
Rot. Bonds31

About 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole

4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole (PubChem CID 158102629) has the molecular formula C219H357N43O2S18 and a molecular weight of 4201.77 g/mol. Its IUPAC name is 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole
PubChem CID158102629
Molecular FormulaC219H357N43O2S18
Molecular Weight4201.77 g/mol
Exact Mass4197.41
IUPAC Name4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole
SMILESCC(C)c1cccs1.CC(C)c1cncs1.CC(C)c1cnsc1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nncn1C.CC(C)c1nnco1.Cc1cc(C(C)C)sc1C.Cc1cc(C)c(C(C)C)s1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cnc(C(C)C)s1.Cc1cncn1C(C)C.Cc1cnn(C(C)C)n1.Cc1csc(C(C)C)c1.Cc1csc(C(C)C)c1C.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C(C)C)s1.Cc1nc(C)n(C(C)C)c1C.Cc1ncc(C(C)C)s1.Cc1nccn1C(C)C.Cc1ncn(C(C)C)c1C.Cc1ncsc1C(C)C.Cc1nn(C(C)C)nc1C.Cc1nnc(C(C)C)o1.Cc1nsc(C)c1C(C)C.Cc1sncc1C(C)C
InChIInChI=1S/C9H16N2.3C9H14S.C8H14N2.3C8H13NS.3C8H12S.C7H13N3.3C7H12N2.5C7H11NS.C7H10S.3C6H11N3.C6H10N2O.3C6H9NS.2C5H9N3.C5H8N2O/c1-6(2)11-8(4)7(3)10-9(11)5;1-6(2)9-8(4)7(3)5-10-9;1-6(2)9-5-7(3)8(4)10-9;1-6(2)9-7(3)5-8(4)10-9;1-6(2)10-5-9-7(3)8(10)4;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-9-6(3)7(4)10-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-5(2)10-8-6(3)7(4)9-10;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-8-4-7(9)3;1-6(2)9-5-4-8-7(9)3;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-7-4-9(3)8-6;1-5(2)9-7-4-6(3)8-9;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5/h6H,1-5H3;4*5-6H,1-4H3;3*5H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;3*4-6H,1-3H3;5*4-5H,1-3H3;3-6H,1-2H3;3*4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4H,1-2H3
InChIKeyFPLIETJPRUVLEW-UHFFFAOYSA-N
XLogP70.06
TPSA514.71 Ų
H-Bond Donors2
H-Bond Acceptors61
Rotatable Bonds31
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004201.77
LogP ≤ 570.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1061

Analyze 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole?
The IUPAC name of 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole (CID 158102629) is 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole.
What is the SMILES notation for 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole?
The canonical SMILES for 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole is CC(C)c1cccs1.CC(C)c1cncs1.CC(C)c1cnsc1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nncn1C.CC(C)c1nnco1.Cc1cc(C(C)C)sc1C.Cc1cc(C)c(C(C)C)s1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cn(C(C)C)cn1.Cc1cnc(C(C)C)s1.Cc1cncn1C(C)C.Cc1cnn(C(C)C)n1.Cc1csc(C(C)C)c1.Cc1csc(C(C)C)c1C.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C(C)C)s1.Cc1nc(C)n(C(C)C)c1C.Cc1ncc(C(C)C)s1.Cc1nccn1C(C)C.Cc1ncn(C(C)C)c1C.Cc1ncsc1C(C)C.Cc1nn(C(C)C)nc1C.Cc1nnc(C(C)C)o1.Cc1nsc(C)c1C(C)C.Cc1sncc1C(C)C.
What is the InChIKey of 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole?
The InChIKey is FPLIETJPRUVLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.3C9H14S.C8H14N2.3C8H13NS.3C8H12S.C7H13N3.3C7H12N2.5C7H11NS.C7H10S.3C6H11N3.C6H10N2O.3C6H9NS.2C5H9N3.C5H8N2O/c1-6(2)11-8(4)7(3)10-9(11)5;1-6(2)9-8(4)7(3)5-10-9;1-6(2)9-5-7(3)8(4)10-9;1-6(2)9-7(3)5-8(4)10-9;1-6(2)10-5-9-7(3)8(10)4;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-9-6(3)7(4)10-8;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-5(2)10-8-6(3)7(4)9-10;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-8-4-7(9)3;1-6(2)9-5-4-8-7(9)3;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-7-4-9(3)8-6;1-5(2)9-7-4-6(3)8-9;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5/h6H,1-5H3;4*5-6H,1-4H3;3*5H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;3*4-6H,1-3H3;5*4-5H,1-3H3;3-6H,1-2H3;3*4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4H,1-2H3.
What are the key properties of 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole?
4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole has a molecular weight of 4201.77 g/mol, XLogP of 70.06, 31 rotatable bonds, 2 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-propan-2-ylimidazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethyl-5-propan-2-ylthiophene;3,4-dimethyl-2-propan-2-ylthiophene;3,5-dimethyl-2-propan-2-ylthiophene;4,5-dimethyl-2-propan-2-yltriazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-methyl-3-propan-2-yl-1,2,4-triazole;4-methyl-2-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole);2,4,5-trimethyl-1-propan-2-ylimidazole is sourced from PubChem (CID 158102629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).