cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene

C208H333N27O9S8 — CID 159346038

IUPACcumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene
SMILESC.C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1nncs1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)c1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C14H22N2.C13H21N3.2C13H20O2.C12H20N2S.2C12H19NO2.C11H18N2OS.C10H15N.C9H12.3C8H11N.2C7H10N2.2C7H11NS.C7H11N.C7H10S.C6H10N2S.C6H9NS.C5H8N2S.6CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;;;/h6-8,12H,3-5,9-11H2,1-2H3;6-7,11H,3-5,8-10H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;8,10H,3-7,9H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;8-9H,3-7H2,1-2H3;5-7H,1-4H3;3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;6*1H4
InChIKeyLGSVIFXSFHSXQC-UHFFFAOYSA-N
MW3612.67 g/mol
LogP56.94
Rot. Bonds46

About cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene

cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene (PubChem CID 159346038) has the molecular formula C208H333N27O9S8 and a molecular weight of 3612.67 g/mol. Its IUPAC name is cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene
PubChem CID159346038
Molecular FormulaC208H333N27O9S8
Molecular Weight3612.67 g/mol
Exact Mass3609.42
IUPAC Namecumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene
SMILESC.C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1nncs1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)c1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C14H22N2.C13H21N3.2C13H20O2.C12H20N2S.2C12H19NO2.C11H18N2OS.C10H15N.C9H12.3C8H11N.2C7H10N2.2C7H11NS.C7H11N.C7H10S.C6H10N2S.C6H9NS.C5H8N2S.6CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;;;/h6-8,12H,3-5,9-11H2,1-2H3;6-7,11H,3-5,8-10H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;8,10H,3-7,9H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;8-9H,3-7H2,1-2H3;5-7H,1-4H3;3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;6*1H4
InChIKeyLGSVIFXSFHSXQC-UHFFFAOYSA-N
XLogP56.94
TPSA435.97 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds46
Heavy Atoms252
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003612.67
LogP ≤ 556.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Analyze cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene?
The IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene (CID 159346038) is cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene.
What is the SMILES notation for cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene?
The canonical SMILES for cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene is C.C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1nncs1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)c1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1nnc(C(C)C)s1.
What is the InChIKey of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene?
The InChIKey is LGSVIFXSFHSXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C13H21N3.2C13H20O2.C12H20N2S.2C12H19NO2.C11H18N2OS.C10H15N.C9H12.3C8H11N.2C7H10N2.2C7H11NS.C7H11N.C7H10S.C6H10N2S.C6H9NS.C5H8N2S.6CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;;;/h6-8,12H,3-5,9-11H2,1-2H3;6-7,11H,3-5,8-10H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;8,10H,3-7,9H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;8-9H,3-7H2,1-2H3;5-7H,1-4H3;3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;6*1H4.
What are the key properties of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene?
cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene has a molecular weight of 3612.67 g/mol, XLogP of 56.94, 46 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;2-propan-2-ylthiophene is sourced from PubChem (CID 159346038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).