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

C179H278N28O8S13 — CID 159678698

IUPACcumene;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
SMILESC=CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.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)c1ncccn1.CC(C)c1nccs1.Cc1nc(C(C)C)cs1
InChIInChI=1S/C13H23N3S.C12H21N3OS.C11H18N2OS.C10H19N3S.C9H12.C8H13NO2S2.3C8H11N.3C7H10N2.C7H11NOS.C7H11NS.2C7H10O.2C7H10S.C6H10N2S.C6H9NO.2C6H9NS.C5H10/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;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;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;1-4-5(2)3/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);3-8H,1-2H3;4,6H,5H2,1-3H3;3*3-7H,1-2H3;3*3-6H,1-2H3;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;4-5H,1H2,2-3H3
InChIKeyMUYAZUASRRJUTF-UHFFFAOYSA-N
MW3367.25 g/mol
LogP51.20
Rot. Bonds41

About 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

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 (PubChem CID 159678698) has the molecular formula C179H278N28O8S13 and a molecular weight of 3367.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecumene;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
PubChem CID159678698
Molecular FormulaC179H278N28O8S13
Molecular Weight3367.25 g/mol
Exact Mass3363.86
IUPAC Namecumene;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
SMILESC=CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.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)c1ncccn1.CC(C)c1nccs1.Cc1nc(C(C)C)cs1
InChIInChI=1S/C13H23N3S.C12H21N3OS.C11H18N2OS.C10H19N3S.C9H12.C8H13NO2S2.3C8H11N.3C7H10N2.C7H11NOS.C7H11NS.2C7H10O.2C7H10S.C6H10N2S.C6H9NO.2C6H9NS.C5H10/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;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;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;1-4-5(2)3/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);3-8H,1-2H3;4,6H,5H2,1-3H3;3*3-7H,1-2H3;3*3-6H,1-2H3;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;4-5H,1H2,2-3H3
InChIKeyMUYAZUASRRJUTF-UHFFFAOYSA-N
XLogP51.20
TPSA453.91 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds41
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003367.25
LogP ≤ 551.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-[2-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157655987
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-2-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 159171188
(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-2-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 159955520
(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-2-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 160003419
2-Amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methylpyrimidin-5-yl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-4-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-thiophen-3-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 161609887
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 161694450
(5Z)-5-[[2-[4-[[[3-fluoro-6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-5-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-6-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-oxo-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 161873743
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
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
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157112642
2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 157159545

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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.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)c1ncccn1.CC(C)c1nccs1.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;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?
The InChIKey is MUYAZUASRRJUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S.C12H21N3OS.C11H18N2OS.C10H19N3S.C9H12.C8H13NO2S2.3C8H11N.3C7H10N2.C7H11NOS.C7H11NS.2C7H10O.2C7H10S.C6H10N2S.C6H9NO.2C6H9NS.C5H10/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;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;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;1-4-5(2)3/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);3-8H,1-2H3;4,6H,5H2,1-3H3;3*3-7H,1-2H3;3*3-6H,1-2H3;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;4-5H,1H2,2-3H3.
What are the key properties of 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?
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 has a molecular weight of 3367.25 g/mol, XLogP of 51.20, 41 rotatable bonds, 6 hydrogen bond donors, and 48 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;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 is sourced from PubChem (CID 159678698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).