4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

C181H221N40O7S7+ — CID 157246208

IUPAC4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)C1=Nc2nccc[n+]2C1.CC(C)c1cc2cccnc2o1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2ccsc2n1.CC(C)c1cnc2ccccc2n1.CC(C)c1cscn1.CC(C)c1nc2ccccc2c(=O)o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2o1.CC(C)c1nc2ncccc2s1.CC(C)c1nncn1C.CC(C)c1nnco1.CC(C)n1cccc1.CC(C)n1cccn1
InChIInChI=1S/C11H12N2.C11H11NO2.C10H12N2.2C10H11NO.C10H11NS.C9H12N3.2C9H11N3.2C9H10N2O.4C9H10N2S.C8H10N2S.C7H11N.C6H11N3.C6H10N2.C6H9NS.C5H8N2O/c1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-12-9-6-4-3-5-8(9)11(13)14-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-5-3-4-10-9(12)11-8;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)7-5-10-3-4-11-8(10)9-7;1-7(2)8-5-3-4-6-8;1-5(2)6-8-7-4-9(6)3;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-4(2)5-7-6-3-8-5/h3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;2*3-6H,1-2H3,(H,10,11,12);6*3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3/q;;;;;;+1;;;;;;;;;;;;;;
InChIKeyJGJRYIMQFBSOAL-UHFFFAOYSA-N
MW3293.50 g/mol
LogP48.52
Rot. Bonds21

About 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 157246208) has the molecular formula C181H221N40O7S7+ and a molecular weight of 3293.50 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
PubChem CID157246208
Molecular FormulaC181H221N40O7S7+
Molecular Weight3293.50 g/mol
Exact Mass3290.62
IUPAC Name4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)C1=Nc2nccc[n+]2C1.CC(C)c1cc2cccnc2o1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2ccsc2n1.CC(C)c1cnc2ccccc2n1.CC(C)c1cscn1.CC(C)c1nc2ccccc2c(=O)o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2o1.CC(C)c1nc2ncccc2s1.CC(C)c1nncn1C.CC(C)c1nnco1.CC(C)n1cccc1.CC(C)n1cccn1
InChIInChI=1S/C11H12N2.C11H11NO2.C10H12N2.2C10H11NO.C10H11NS.C9H12N3.2C9H11N3.2C9H10N2O.4C9H10N2S.C8H10N2S.C7H11N.C6H11N3.C6H10N2.C6H9NS.C5H8N2O/c1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-12-9-6-4-3-5-8(9)11(13)14-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-5-3-4-10-9(12)11-8;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)7-5-10-3-4-11-8(10)9-7;1-7(2)8-5-3-4-6-8;1-5(2)6-8-7-4-9(6)3;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-4(2)5-7-6-3-8-5/h3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;2*3-6H,1-2H3,(H,10,11,12);6*3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3/q;;;;;;+1;;;;;;;;;;;;;;
InChIKeyJGJRYIMQFBSOAL-UHFFFAOYSA-N
XLogP48.52
TPSA566.93 Ų
H-Bond Donors2
H-Bond Acceptors51
Rotatable Bonds21
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003293.50
LogP ≤ 548.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
Acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane
CID 158004282
2-ethyl-N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;1-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;4-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;5-methyl-7-(propan-2-ylamino)pyrido[2,3-b]pyrazin-6-one;6-methyl-N-propan-2-ylthieno[2,3-c]pyridazin-3-amine;4-methyl-N-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-amine;5-methylsulfanyl-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-(propan-2-ylamino)-4H-pyrido[2,3-b]pyrazin-3-one;7-(propan-2-ylamino)-5H-pyrido[3,2-d]pyrimidin-6-one;7-(propan-2-ylamino)-2-(trifluoromethyl)-5H-pyrido[3,2-d]pyrimidin-6-one;N-propan-2-yl-1,2,3-benzothiadiazol-6-amine;N-propan-2-ylthiadiazolo[4,5-b]pyridin-6-amine;N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;N-propan-2-ylthieno[3,2-c]pyridazin-3-amine;N-propan-2-yl-6-(trifluoromethyl)furo[3,2-c]pyridazin-3-amine
CID 158077376
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
CID 159678045
CID 159678045
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160673149
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (CID 157246208) is 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is CC(C)C1=Nc2nccc[n+]2C1.CC(C)c1cc2cccnc2o1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2ccsc2n1.CC(C)c1cnc2ccccc2n1.CC(C)c1cscn1.CC(C)c1nc2ccccc2c(=O)o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2o1.CC(C)c1nc2ncccc2s1.CC(C)c1nncn1C.CC(C)c1nnco1.CC(C)n1cccc1.CC(C)n1cccn1.
What is the InChIKey of 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is JGJRYIMQFBSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C11H11NO2.C10H12N2.2C10H11NO.C10H11NS.C9H12N3.2C9H11N3.2C9H10N2O.4C9H10N2S.C8H10N2S.C7H11N.C6H11N3.C6H10N2.C6H9NS.C5H8N2O/c1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-12-9-6-4-3-5-8(9)11(13)14-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-5-3-4-10-9(12)11-8;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)7-5-10-3-4-11-8(10)9-7;1-7(2)8-5-3-4-6-8;1-5(2)6-8-7-4-9(6)3;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-4(2)5-7-6-3-8-5/h3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;2*3-6H,1-2H3,(H,10,11,12);6*3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3/q;;;;;;+1;;;;;;;;;;;;;;.
What are the key properties of 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 3293.50 g/mol, XLogP of 48.52, 21 rotatable bonds, 2 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 157246208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).