cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

C169H256N32O3S6 — CID 158162530

IUPACcumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncn1.CC(C)c1nccs1.CC(C)c1nnc(C2CC2)s1.CC(C)c1nncs1.CCCn1ccc(C(C)C)n1.CCN(CC)C(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C13H20N2O.C12H18N2O.C9H16N2.C9H13NO.2C9H13N.C9H12.C8H12N2S.3C8H12N2.2C8H11N.C7H12N2.C7H10N2.2C7H11NS.C6H10N2S.C6H10N2.C6H9NS.C5H8N2S/c1-5-15(6-2)13(16)12-9-7-8-11(14-12)10(3)4;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-4-6-11-7-5-9(10-11)8(2)3;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-9-10-8(11-7)6-3-4-6;1-6(2)8-9-5-4-7(3)10-8;2*1-6(2)8-5-4-7(3)9-10-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h7-10H,5-6H2,1-4H3;3-4,9-10H,5-8H2,1-2H3;5,7-8H,4,6H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-8H,1-2H3;5-6H,3-4H2,1-2H3;3*4-6H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3
InChIKeyFWLIOACZUFNJDX-UHFFFAOYSA-N
MW2976.53 g/mol
LogP45.59
Rot. Bonds29

About cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (PubChem CID 158162530) has the molecular formula C169H256N32O3S6 and a molecular weight of 2976.53 g/mol. Its IUPAC name is cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
PubChem CID158162530
Molecular FormulaC169H256N32O3S6
Molecular Weight2976.53 g/mol
Exact Mass2973.92
IUPAC Namecumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncn1.CC(C)c1nccs1.CC(C)c1nnc(C2CC2)s1.CC(C)c1nncs1.CCCn1ccc(C(C)C)n1.CCN(CC)C(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C13H20N2O.C12H18N2O.C9H16N2.C9H13NO.2C9H13N.C9H12.C8H12N2S.3C8H12N2.2C8H11N.C7H12N2.C7H10N2.2C7H11NS.C6H10N2S.C6H10N2.C6H9NS.C5H8N2S/c1-5-15(6-2)13(16)12-9-7-8-11(14-12)10(3)4;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-4-6-11-7-5-9(10-11)8(2)3;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-9-10-8(11-7)6-3-4-6;1-6(2)8-9-5-4-7(3)10-8;2*1-6(2)8-5-4-7(3)9-10-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h7-10H,5-6H2,1-4H3;3-4,9-10H,5-8H2,1-2H3;5,7-8H,4,6H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-8H,1-2H3;5-6H,3-4H2,1-2H3;3*4-6H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3
InChIKeyFWLIOACZUFNJDX-UHFFFAOYSA-N
XLogP45.59
TPSA415.69 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002976.53
LogP ≤ 545.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Analyze cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 157806440
4,5-Dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole
CID 159382977
1-benzyl-4-propan-2-ylpyrazole;2-cyclopropyl-4-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-pyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-propan-2-ylpyridin-2-amine;1-(5-propan-2-ylthiophen-2-yl)ethanone;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161556844
(4S)-4-cyclohexyl-5-[(2S)-2-[4-[3-[2-[[2-[4-[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorobenzoyl]piperazin-1-yl]acetyl]amino]ethoxy]benzoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-(methylamino)-5-oxopent-2-enamide
CID 167380329
2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
2-[3-[2-[2-[2-[2-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)furan-3-yl]phenyl]sulfanyl-1H-pyrrol-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-[4-(thiadiazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 136653447
methane;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;bis(4-propan-2-yl-2H-triazole)
CID 157055801
cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole
CID 157228387
2,5-Di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);3,6-di(propan-2-yl)pyridazine;bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);bis(2,5-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
CID 157281708
1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157283462
cumene;2-hydrazinylidene-4-methylpentan-1-imine;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157284470
tert-butylbenzene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157288239

Frequently Asked Questions

What is the IUPAC name of cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (CID 158162530) is cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncn1.CC(C)c1nccs1.CC(C)c1nnc(C2CC2)s1.CC(C)c1nncs1.CCCn1ccc(C(C)C)n1.CCN(CC)C(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1.
What is the InChIKey of cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is FWLIOACZUFNJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C12H18N2O.C9H16N2.C9H13NO.2C9H13N.C9H12.C8H12N2S.3C8H12N2.2C8H11N.C7H12N2.C7H10N2.2C7H11NS.C6H10N2S.C6H10N2.C6H9NS.C5H8N2S/c1-5-15(6-2)13(16)12-9-7-8-11(14-12)10(3)4;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-4-6-11-7-5-9(10-11)8(2)3;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-9-10-8(11-7)6-3-4-6;1-6(2)8-9-5-4-7(3)10-8;2*1-6(2)8-5-4-7(3)9-10-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h7-10H,5-6H2,1-4H3;3-4,9-10H,5-8H2,1-2H3;5,7-8H,4,6H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-8H,1-2H3;5-6H,3-4H2,1-2H3;3*4-6H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 2976.53 g/mol, XLogP of 45.59, 29 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;N,N-diethyl-6-propan-2-ylpyridine-2-carboxamide;2-methoxy-6-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158162530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).