2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine

C143H183N21S7 — CID 157202286

IUPAC2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2ccncc2s1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1nc2nccnc2s1
InChIInChI=1S/C13H15N.C12H14N2.2C12H15N.C12H14S.C11H16N2.C11H18N2.C11H13NS.C10H16N2S.3C10H12N2S.C9H11N3S/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;2*1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6/h4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-6,12-13H,7H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3;11H,4-6H2,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3
InChIKeyAQXZGFRFMKGFRN-UHFFFAOYSA-N
MW2420.65 g/mol
LogP39.69
Rot. Bonds

About 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine

2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine (PubChem CID 157202286) has the molecular formula C143H183N21S7 and a molecular weight of 2420.65 g/mol. Its IUPAC name is 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine
PubChem CID157202286
Molecular FormulaC143H183N21S7
Molecular Weight2420.65 g/mol
Exact Mass2418.30
IUPAC Name2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2ccncc2s1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1nc2nccnc2s1
InChIInChI=1S/C13H15N.C12H14N2.2C12H15N.C12H14S.C11H16N2.C11H18N2.C11H13NS.C10H16N2S.3C10H12N2S.C9H11N3S/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;2*1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6/h4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-6,12-13H,7H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3;11H,4-6H2,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3
InChIKeyAQXZGFRFMKGFRN-UHFFFAOYSA-N
XLogP39.69
TPSA254.57 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002420.65
LogP ≤ 539.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine with MolForge

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Related Compounds

5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;methane;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 157113750
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 157793600
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;methane;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 158970318
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054
4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile;5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile
CID 159723051
2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 159820862
4-[2-[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]-N,N-dimethylpiperazine-1-carboxamide;1-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(3-methylpiperazin-1-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[(1-methylpyrazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-7H-cyclopenta[c]pyridine-6-carbonitrile
CID 159944940
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 160060630

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine?
The IUPAC name of 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine (CID 157202286) is 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine?
The canonical SMILES for 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine is CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2ccncc2s1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1nc2nccnc2s1.
What is the InChIKey of 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine?
The InChIKey is AQXZGFRFMKGFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H14N2.2C12H15N.C12H14S.C11H16N2.C11H18N2.C11H13NS.C10H16N2S.3C10H12N2S.C9H11N3S/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;2*1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6/h4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-6,12-13H,7H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3;11H,4-6H2,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine?
2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine has a molecular weight of 2420.65 g/mol, XLogP of 39.69, 0 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine is sourced from PubChem (CID 157202286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).