cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C146H233N23O10S15 — CID 159363581

IUPACcumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(=O)Nc1nc(C(C)C)cs1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cocn1.CC(C)c1csc(CO)n1.CC(C)c1csc(CS(C)(=O)=O)n1.CC(C)c1csc(N)n1.CC(C)c1csc(NCC2CCCO2)n1.CC(C)c1csc(NCCN(C)C)n1.CC(C)c1csc(NCCN2CCCCC2)n1.CC(C)c1csc(NCCN2CCOCC2)n1.CC(C)c1cscn1.CC(C)c1nccs1.COCCNc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1
InChIInChI=1S/C13H23N3S.C12H21N3OS.C11H18N2OS.C10H19N3S.C9H16N2OS.C9H12.C8H12N2OS.C8H13NO2S2.C7H11NOS.C7H11NS.2C7H10O.2C7H10S.C6H10N2S.C6H9NO.2C6H9NS/c1-11(2)12-10-17-13(15-12)14-6-9-16-7-4-3-5-8-16;1-10(2)11-9-17-12(14-11)13-3-4-15-5-7-16-8-6-15;1-8(2)10-7-15-11(13-10)12-6-9-4-3-5-14-9;1-8(2)9-7-14-10(12-9)11-5-6-13(3)4;1-7(2)8-6-13-9(11-8)10-4-5-12-3;1-8(2)9-6-4-3-5-7-9;1-5(2)7-4-12-8(10-7)9-6(3)11;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-5(2)6-4-10-7(3-9)8-6;1-5(2)7-4-9-6(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-3-9-6(7)8-5;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h10-11H,3-9H2,1-2H3,(H,14,15);9-10H,3-8H2,1-2H3,(H,13,14);7-9H,3-6H2,1-2H3,(H,12,13);7-8H,5-6H2,1-4H3,(H,11,12);6-7H,4-5H2,1-3H3,(H,10,11);3-8H,1-2H3;4-5H,1-3H3,(H,9,10,11);4,6H,5H2,1-3H3;4-5,9H,3H2,1-2H3;4-5H,1-3H3;4*3-6H,1-2H3;3-4H,1-2H3,(H2,7,8);3*3-5H,1-2H3
InChIKeyLIVLKGWXOJXTEH-UHFFFAOYSA-N
MW2951.63 g/mol
LogP42.51
Rot. Bonds41

About cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 159363581) has the molecular formula C146H233N23O10S15 and a molecular weight of 2951.63 g/mol. Its IUPAC name is cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID159363581
Molecular FormulaC146H233N23O10S15
Molecular Weight2951.63 g/mol
Exact Mass2948.42
IUPAC Namecumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(=O)Nc1nc(C(C)C)cs1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cocn1.CC(C)c1csc(CO)n1.CC(C)c1csc(CS(C)(=O)=O)n1.CC(C)c1csc(N)n1.CC(C)c1csc(NCC2CCCO2)n1.CC(C)c1csc(NCCN(C)C)n1.CC(C)c1csc(NCCN2CCCCC2)n1.CC(C)c1csc(NCCN2CCOCC2)n1.CC(C)c1cscn1.CC(C)c1nccs1.COCCNc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1
InChIInChI=1S/C13H23N3S.C12H21N3OS.C11H18N2OS.C10H19N3S.C9H16N2OS.C9H12.C8H12N2OS.C8H13NO2S2.C7H11NOS.C7H11NS.2C7H10O.2C7H10S.C6H10N2S.C6H9NO.2C6H9NS/c1-11(2)12-10-17-13(15-12)14-6-9-16-7-4-3-5-8-16;1-10(2)11-9-17-12(14-11)13-3-4-15-5-7-16-8-6-15;1-8(2)10-7-15-11(13-10)12-6-9-4-3-5-14-9;1-8(2)9-7-14-10(12-9)11-5-6-13(3)4;1-7(2)8-6-13-9(11-8)10-4-5-12-3;1-8(2)9-6-4-3-5-7-9;1-5(2)7-4-12-8(10-7)9-6(3)11;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-5(2)6-4-10-7(3-9)8-6;1-5(2)7-4-9-6(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-3-9-6(7)8-5;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h10-11H,3-9H2,1-2H3,(H,14,15);9-10H,3-8H2,1-2H3,(H,13,14);7-9H,3-6H2,1-2H3,(H,12,13);7-8H,5-6H2,1-4H3,(H,11,12);6-7H,4-5H2,1-3H3,(H,10,11);3-8H,1-2H3;4-5H,1-3H3,(H,9,10,11);4,6H,5H2,1-3H3;4-5,9H,3H2,1-2H3;4-5H,1-3H3;4*3-6H,1-2H3;3-4H,1-2H3,(H2,7,8);3*3-5H,1-2H3
InChIKeyLIVLKGWXOJXTEH-UHFFFAOYSA-N
XLogP42.51
TPSA414.04 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds41
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002951.63
LogP ≤ 542.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 157107890
cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157213549
cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157862214
cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene
CID 159474708
cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159543892
cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159678698
Cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)
CID 160227136
Cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)
CID 162195953

Frequently Asked Questions

What is the IUPAC name of cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 159363581) is cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(=O)Nc1nc(C(C)C)cs1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cocn1.CC(C)c1csc(CO)n1.CC(C)c1csc(CS(C)(=O)=O)n1.CC(C)c1csc(N)n1.CC(C)c1csc(NCC2CCCO2)n1.CC(C)c1csc(NCCN(C)C)n1.CC(C)c1csc(NCCN2CCCCC2)n1.CC(C)c1csc(NCCN2CCOCC2)n1.CC(C)c1cscn1.CC(C)c1nccs1.COCCNc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.
What is the InChIKey of cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is LIVLKGWXOJXTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S.C12H21N3OS.C11H18N2OS.C10H19N3S.C9H16N2OS.C9H12.C8H12N2OS.C8H13NO2S2.C7H11NOS.C7H11NS.2C7H10O.2C7H10S.C6H10N2S.C6H9NO.2C6H9NS/c1-11(2)12-10-17-13(15-12)14-6-9-16-7-4-3-5-8-16;1-10(2)11-9-17-12(14-11)13-3-4-15-5-7-16-8-6-15;1-8(2)10-7-15-11(13-10)12-6-9-4-3-5-14-9;1-8(2)9-7-14-10(12-9)11-5-6-13(3)4;1-7(2)8-6-13-9(11-8)10-4-5-12-3;1-8(2)9-6-4-3-5-7-9;1-5(2)7-4-12-8(10-7)9-6(3)11;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-5(2)6-4-10-7(3-9)8-6;1-5(2)7-4-9-6(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-3-9-6(7)8-5;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h10-11H,3-9H2,1-2H3,(H,14,15);9-10H,3-8H2,1-2H3,(H,13,14);7-9H,3-6H2,1-2H3,(H,12,13);7-8H,5-6H2,1-4H3,(H,11,12);6-7H,4-5H2,1-3H3,(H,10,11);3-8H,1-2H3;4-5H,1-3H3,(H,9,10,11);4,6H,5H2,1-3H3;4-5,9H,3H2,1-2H3;4-5H,1-3H3;4*3-6H,1-2H3;3-4H,1-2H3,(H2,7,8);3*3-5H,1-2H3.
What are the key properties of cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 2951.63 g/mol, XLogP of 42.51, 41 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 159363581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).