2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C166H239Cl3FN17O4S4 — CID 160897736

IUPAC2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)C1C=CC=N1.CC(C)C1CCCO1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn(C)cn1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1ncco1.CC(C)c1nccs1.CCn1ccc(C(C)C)n1
InChIInChI=1S/C13H14S.C11H18S.3C9H11Cl.C9H11F.C8H14N2.3C8H11N.2C7H12N2.2C7H10N2.C7H11N.C7H14O.C7H10O.C7H10S.2C6H9NO.C6H9NS/c1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-8(2)9-6-7-10(12-9)11(3,4)5;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-4-10-6-5-8(9-10)7(2)3;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)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;4*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6/h3-10H,1-2H3;6-8H,1-5H3;4*3-7H,1-2H3;5-7H,4H2,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;6-7H,3-5H2,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeySPCBPAWULDEEQB-UHFFFAOYSA-N
MW2790.48 g/mol
LogP51.59
Rot. Bonds23

About 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 160897736) has the molecular formula C166H239Cl3FN17O4S4 and a molecular weight of 2790.48 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
PubChem CID160897736
Molecular FormulaC166H239Cl3FN17O4S4
Molecular Weight2790.48 g/mol
Exact Mass2786.70
IUPAC Name2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)C1C=CC=N1.CC(C)C1CCCO1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn(C)cn1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1ncco1.CC(C)c1nccs1.CCn1ccc(C(C)C)n1
InChIInChI=1S/C13H14S.C11H18S.3C9H11Cl.C9H11F.C8H14N2.3C8H11N.2C7H12N2.2C7H10N2.C7H11N.C7H14O.C7H10O.C7H10S.2C6H9NO.C6H9NS/c1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-8(2)9-6-7-10(12-9)11(3,4)5;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-4-10-6-5-8(9-10)7(2)3;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)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;4*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6/h3-10H,1-2H3;6-8H,1-5H3;4*3-7H,1-2H3;5-7H,4H2,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;6-7H,3-5H2,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeySPCBPAWULDEEQB-UHFFFAOYSA-N
XLogP51.59
TPSA243.37 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002790.48
LogP ≤ 551.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;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;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;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 157759188
CID 158186241
CID 158186241
2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-4-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,4-dichloro-5-propan-2-ylpyridine;2,6-dichloro-3-propan-2-ylpyridine;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-ethynyl-2-propan-2-ylthiophene;2-fluoro-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;(5-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 158906887
CID 158947634
CID 158947634
CID 159121451
CID 159121451
4-Chloro-1,5-dimethylpyrazole;2-chloro-4,5-dimethyl-1,3-thiazole;3-chloro-1,4-dimethyl-5-(trifluoromethyl)pyrazole;5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;2-chloro-3-methylpyridine;3-chloro-2-methylthiophene;3-chloro-1,4,5-trimethylpyrazole;4-chloro-1,3,5-trimethylpyrazole;bis(5-chloro-1,3,4-trimethylpyrazole);2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;tris(2,3-dimethylpyridine);3,4-dimethylpyridine;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole;1,3,4,5-tetramethylpyrazole;1,4,5-trimethylimidazole;1,3,5-trimethyl-4-nitropyrazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,5-trimethyltriazole
CID 159973901
CID 160251695
CID 160251695
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;2-[(4-methylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161459908
2-tert-butyl-5-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;4-chloro-1-propan-2-ylpyrazole;2-(difluoromethoxy)-5-propan-2-ylpyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;3-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylpyrazole;3-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylpyrrole;2-(1,1,2,2,2-pentafluoroethyl)-5-propan-2-ylthiophene;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene;5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)imidazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;1-propan-2-yl-3-(trifluoromethyl)pyrrole
CID 161554977
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161686232
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
1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,5-dimethylimidazole;1,5-dimethylpyrazole;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-isocyano-2-methylbenzene;1-methylazetidine;3-methylbenzonitrile;4-methylbenzonitrile;methylcyclobutane;3-methylcyclobutan-1-ol;1-methylcyclopenta-1,3-diene;methylcyclopentane;methylcyclopropane;2-methylfuran;5-methyl-1,3-oxazole;3-methyloxetane;3-methyloxolane;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;3-methyl-2H-pyrrole;4-methyl-3H-pyrrole;1-methylpyrrolidine;5-methyl-1,3-thiazole;2-methylthiophene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);1,3-xylene;1,4-xylene
CID 161716579

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The IUPAC name of 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 160897736) is 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.
What is the SMILES notation for 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The canonical SMILES for 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC(C)C1C=CC=N1.CC(C)C1CCCO1.CC(C)c1ccc(-c2ccccc2)s1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn(C)cn1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1ncco1.CC(C)c1nccs1.CCn1ccc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The InChIKey is SPCBPAWULDEEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S.C11H18S.3C9H11Cl.C9H11F.C8H14N2.3C8H11N.2C7H12N2.2C7H10N2.C7H11N.C7H14O.C7H10O.C7H10S.2C6H9NO.C6H9NS/c1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-8(2)9-6-7-10(12-9)11(3,4)5;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-4-10-6-5-8(9-10)7(2)3;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)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;4*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6/h3-10H,1-2H3;6-8H,1-5H3;4*3-7H,1-2H3;5-7H,4H2,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;6-7H,3-5H2,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3.
What are the key properties of 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 2790.48 g/mol, XLogP of 51.59, 23 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;5-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;4-propan-2-ylpyrimidine;2-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 160897736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).