2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole

C191H286Cl2N32O6S9 — CID 157443946

IUPAC2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole
SMILESCC(C)C1=CCC=N1.CC(C)c1cc[nH]c1.CC(C)c1ccc(C#N)s1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc[nH]1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(S(C)(=O)=O)c1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]n1.CC(C)c1cnc(Cl)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cscn1.CC(C)c1nccs1.Cc1cc(C(C)C)n[nH]1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C11H17N.C10H13NO.C8H13NO2S.C8H9NS.C8H11N.C7H9ClS.C7H12N2.C7H10N2.2C7H12N2.2C7H10N2.C7H11NS.3C7H11N.2C7H10O.2C7H10S.C6H9ClN2.C6H10N2.C6H9NO.3C6H9NS.C5H9N3/c1-9(2)10-6-5-7-11(8-10)12(3)4;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-4-5-9(6-8)12(3,10)11;1-6(2)8-4-3-7(5-9)10-8;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-4-7(8)9-6;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)8-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;2*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;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-3-8-6(7)9-5;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-3-6-8-7-5/h5-9H,1-4H3;3-7H,1-2H3,(H2,11,12);4-7H,1-3H3;3-4,6H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*3-6H,1-2H3;4-5H,1-3H3;3-6,8H,1-2H3;4-6H,3H2,1-2H3;3-6,8H,1-2H3;4*3-6H,1-2H3;3-4H,1-2H3,(H,8,9);3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyBRZRJEPZANXWRF-UHFFFAOYSA-N
MW3486.12 g/mol
LogP57.05
Rot. Bonds30

About 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole

2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole (PubChem CID 157443946) has the molecular formula C191H286Cl2N32O6S9 and a molecular weight of 3486.12 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole.

Molecular Properties

Compound Name2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole
PubChem CID157443946
Molecular FormulaC191H286Cl2N32O6S9
Molecular Weight3486.12 g/mol
Exact Mass3481.99
IUPAC Name2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole
SMILESCC(C)C1=CCC=N1.CC(C)c1cc[nH]c1.CC(C)c1ccc(C#N)s1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc[nH]1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(S(C)(=O)=O)c1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]n1.CC(C)c1cnc(Cl)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cscn1.CC(C)c1nccs1.Cc1cc(C(C)C)n[nH]1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C11H17N.C10H13NO.C8H13NO2S.C8H9NS.C8H11N.C7H9ClS.C7H12N2.C7H10N2.2C7H12N2.2C7H10N2.C7H11NS.3C7H11N.2C7H10O.2C7H10S.C6H9ClN2.C6H10N2.C6H9NO.3C6H9NS.C5H9N3/c1-9(2)10-6-5-7-11(8-10)12(3)4;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-4-5-9(6-8)12(3,10)11;1-6(2)8-4-3-7(5-9)10-8;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-4-7(8)9-6;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)8-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;2*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;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-3-8-6(7)9-5;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-3-6-8-7-5/h5-9H,1-4H3;3-7H,1-2H3,(H2,11,12);4-7H,1-3H3;3-4,6H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*3-6H,1-2H3;4-5H,1-3H3;3-6,8H,1-2H3;4-6H,3H2,1-2H3;3-6,8H,1-2H3;4*3-6H,1-2H3;3-4H,1-2H3,(H,8,9);3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyBRZRJEPZANXWRF-UHFFFAOYSA-N
XLogP57.05
TPSA510.48 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003486.12
LogP ≤ 557.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole 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

CID 157694405
CID 157694405
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
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 158270183
2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;4-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine;2,4-ditert-butyl-1,3-oxazole
CID 160329704
2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;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;2,5-dichloro-3-propan-2-ylthiophene;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;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-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yl-4H-triazol-1-ium;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;5-propan-2-ylthiophene-3-carbonitrile
CID 157056346
bis(1-benzofuran);bis(1-benzothiophene);bis(1,3-dihydroindol-2-one);1H-imidazole;bis(1H-indazole);bis(1H-indole);1-methylpiperidine;icosakis(2-methylpropane);1,3-oxazole;pyridine;1H-pyridin-2-one;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157160092
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
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
cumene;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;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;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-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;3-propan-2-ylthiophene
CID 157298778
2-chloro-3-methyl-4-propan-2-ylpyridine;2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-5-methyl-3-propan-2-ylthiophene;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;4-chloro-2-propan-2-ylthiophene;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;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-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;3-methyl-4-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;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile
CID 157373784
bis(tert-butylbenzene);tert-butylcyclobutane;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;4-tert-butyl-2H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;tris(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;tris(5-tert-butyl-3H-pyrrole);1-tert-butyltetrazole;2-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;5-tert-butyl-3H-1,2,4-triazole
CID 157378969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole?
The IUPAC name of 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole (CID 157443946) is 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole.
What is the SMILES notation for 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole?
The canonical SMILES for 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole is CC(C)C1=CCC=N1.CC(C)c1cc[nH]c1.CC(C)c1ccc(C#N)s1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc[nH]1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(S(C)(=O)=O)c1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]n1.CC(C)c1cnc(Cl)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cscn1.CC(C)c1nccs1.Cc1cc(C(C)C)n[nH]1.Cc1ncc(C(C)C)s1.
What is the InChIKey of 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole?
The InChIKey is BRZRJEPZANXWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H13NO.C8H13NO2S.C8H9NS.C8H11N.C7H9ClS.C7H12N2.C7H10N2.2C7H12N2.2C7H10N2.C7H11NS.3C7H11N.2C7H10O.2C7H10S.C6H9ClN2.C6H10N2.C6H9NO.3C6H9NS.C5H9N3/c1-9(2)10-6-5-7-11(8-10)12(3)4;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-4-5-9(6-8)12(3,10)11;1-6(2)8-4-3-7(5-9)10-8;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-4-7(8)9-6;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)8-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;2*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;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-3-8-6(7)9-5;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-3-6-8-7-5/h5-9H,1-4H3;3-7H,1-2H3,(H2,11,12);4-7H,1-3H3;3-4,6H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*3-6H,1-2H3;4-5H,1-3H3;3-6,8H,1-2H3;4-6H,3H2,1-2H3;3-6,8H,1-2H3;4*3-6H,1-2H3;3-4H,1-2H3,(H,8,9);3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8).
What are the key properties of 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole?
2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole has a molecular weight of 3486.12 g/mol, XLogP of 57.05, 30 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yl-1H-imidazole;2-chloro-5-propan-2-ylthiophene;N,N-dimethyl-3-propan-2-ylaniline;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methylsulfonyl-3-propan-2-ylpyrrole;3-propan-2-ylbenzamide;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-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;3-propan-2-ylthiophene;5-propan-2-ylthiophene-2-carbonitrile;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 157443946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).