cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C213H288N32OS12 — CID 157171081

IUPACcumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc(N)cc1.CC(C)c1ccc(N)nc1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc(N)n1.CC(C)c1cccc2c1N=CC2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2ocnc12.CC(C)c1cccc2scnc12.CC(C)c1ccccc1.CC(C)c1ccccc1N.CC(C)c1ccccn1.CC(C)c1cccnc1N.CC(C)c1cccnn1.CC(C)c1ccnc(N)c1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cnc(N)s1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1.CC(C)c1nccs1.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C11H13N.C10H11NO.5C10H11NS.C10H14.2C9H13N.C9H12.4C8H12N2.2C8H11N.2C7H10N2.C7H11NS.2C6H10N2S.4C6H9NS/c1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)5-3-8-6(7)9-5;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6/h3-5,7-8H,6H2,1-2H3;6*3-7H,1-2H3;4-8H,1-3H3;2*3-7H,10H2,1-2H3;3-8H,1-2H3;4*3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;4H,1-3H3;3-4H,1-2H3,(H2,7,8);4*3-5H,1-2H3
InChIKeyANLVTTVNSVBNOE-UHFFFAOYSA-N
MW3697.67 g/mol
LogP64.05
Rot. Bonds26

About cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 157171081) has the molecular formula C213H288N32OS12 and a molecular weight of 3697.67 g/mol. Its IUPAC name is cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID157171081
Molecular FormulaC213H288N32OS12
Molecular Weight3697.67 g/mol
Exact Mass3694.01
IUPAC Namecumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc(N)cc1.CC(C)c1ccc(N)nc1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc(N)n1.CC(C)c1cccc2c1N=CC2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2ocnc12.CC(C)c1cccc2scnc12.CC(C)c1ccccc1.CC(C)c1ccccc1N.CC(C)c1ccccn1.CC(C)c1cccnc1N.CC(C)c1cccnn1.CC(C)c1ccnc(N)c1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cnc(N)s1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1.CC(C)c1nccs1.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C11H13N.C10H11NO.5C10H11NS.C10H14.2C9H13N.C9H12.4C8H12N2.2C8H11N.2C7H10N2.C7H11NS.2C6H10N2S.4C6H9NS/c1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)5-3-8-6(7)9-5;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6/h3-5,7-8H,6H2,1-2H3;6*3-7H,1-2H3;4-8H,1-3H3;2*3-7H,10H2,1-2H3;3-8H,1-2H3;4*3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;4H,1-3H3;3-4H,1-2H3,(H2,7,8);4*3-5H,1-2H3
InChIKeyANLVTTVNSVBNOE-UHFFFAOYSA-N
XLogP64.05
TPSA517.00 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds26
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003697.67
LogP ≤ 564.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 157160459
2-Tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
CID 157173301
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);6-methyl-1H-indole;2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157221558
6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;5-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157300589
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157336788
bis(5-tert-butyl-1,3-benzothiazol-2-amine);1-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-methylurea;5-tert-butyl-1,3-benzoxazol-2-amine;6-tert-butyl-1,3-benzoxazol-2-amine;N-(5-tert-butyl-1,3-benzoxazol-2-yl)acetamide;4-tert-butyl-1-methylpyrazole;(4-tert-butylphenyl)methanamine;2-(4-tert-butylpyrazol-1-yl)ethanol;6-tert-butylquinazolin-2-amine;6-tert-butylquinazolin-4-amine;6-tert-butylquinolin-2-amine;(3Z)-3-(2,2-dimethylpropylidene)pyrrolidin-2-one;(5E)-5-(2,2-dimethylpropylidene)-1,3-thiazolidine-2,4-dione
CID 157416678
methane;bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole);5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157417262
tert-butylbenzene;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;bis(5-tert-butyl-2,3-dihydro-1H-indene);5-tert-butyl-1H-indazole;3-tert-butylisoquinoline;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 157444548
methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 157445870
Cumene;2,7-di(propan-2-yl)-1,3-benzothiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;ethane;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 157510006
6-[4-Amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;5-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine;6-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinazolin-2-amine;6-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinolin-2-amine
CID 157609955
5-chloro-6-propan-2-yl-2H-benzimidazole;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;tris(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole
CID 157676830

Frequently Asked Questions

What is the IUPAC name of cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 157171081) is cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC(C)c1ccc(N)cc1.CC(C)c1ccc(N)nc1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc(N)n1.CC(C)c1cccc2c1N=CC2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2ocnc12.CC(C)c1cccc2scnc12.CC(C)c1ccccc1.CC(C)c1ccccc1N.CC(C)c1ccccn1.CC(C)c1cccnc1N.CC(C)c1cccnn1.CC(C)c1ccnc(N)c1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cnc(N)s1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1.CC(C)c1nccs1.Cc1cccc(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1nnc(C(C)C)s1.
What is the InChIKey of cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is ANLVTTVNSVBNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C10H11NO.5C10H11NS.C10H14.2C9H13N.C9H12.4C8H12N2.2C8H11N.2C7H10N2.C7H11NS.2C6H10N2S.4C6H9NS/c1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)5-3-8-6(7)9-5;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6/h3-5,7-8H,6H2,1-2H3;6*3-7H,1-2H3;4-8H,1-3H3;2*3-7H,10H2,1-2H3;3-8H,1-2H3;4*3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;4H,1-3H3;3-4H,1-2H3,(H2,7,8);4*3-5H,1-2H3.
What are the key properties of cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 3697.67 g/mol, XLogP of 64.05, 26 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-3H-indole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 157171081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).