2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole

C204H324F4N30O2S4 — CID 159504370

IUPAC2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1ccc(F)c(F)c1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1ccn[nH]1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncn1.CC(C)(C)Cc1cncc(F)c1.CC(C)(C)Cc1cnccc1F.CC(C)(C)Cc1cncs1.CC(C)(C)Cc1cocn1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cc1ncco1.CC(C)(C)Cc1nccs1.CC(C)c1ncc(CC(C)(C)C)s1.CC1=NN=C(CC(C)(C)C)C1.Cc1cc(CC(C)(C)C)n[nH]1.Cc1cncc(CC(C)(C)C)n1.Cc1nc(CC(C)(C)C)n[nH]1.Cc1ncc(CC(C)(C)C)s1.Cn1ccc(CC(C)(C)C)n1
InChIInChI=1S/C11H14F2.C11H19NS.C11H16.2C10H14FN.C10H16N2.3C10H15N.3C9H16N2.3C9H14N2.C9H15NS.C8H15N3.C8H14N2.2C8H13NO.2C8H13NS/c1-11(2,3)7-8-4-5-9(12)10(13)6-8;1-8(2)10-12-7-9(13-10)6-11(3,4)5;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)6-8-7-12-5-4-9(8)11;1-8-6-11-7-9(12-8)5-10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;2*1-7-5-8(11-10-7)6-9(2,3)4;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)6-8-4-5-10-7-11-8;1-9(2,3)7-8-10-5-4-6-11-8;1-9(2,3)7-8-5-4-6-10-11-8;1-7-10-6-8(11-7)5-9(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-8(2,3)6-7-4-5-9-10-7;1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-7-9-4-5-10-7/h4-6H,7H2,1-3H3;7-8H,6H2,1-5H3;4-8H,9H2,1-3H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3;6-7H,5H2,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5-6H2,1-4H3;5H,6H2,1-4H3,(H,10,11);5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3;2*4-6H,7H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3,(H,9,10,11);4-5H,6H2,1-3H3,(H,9,10);5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3
InChIKeyLZUGJELYSZJXIT-UHFFFAOYSA-N
MW3433.30 g/mol
LogP56.57
Rot. Bonds23

About 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole

2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 159504370) has the molecular formula C204H324F4N30O2S4 and a molecular weight of 3433.30 g/mol. Its IUPAC name is 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole
PubChem CID159504370
Molecular FormulaC204H324F4N30O2S4
Molecular Weight3433.30 g/mol
Exact Mass3430.50
IUPAC Name2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1ccc(F)c(F)c1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1ccn[nH]1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncn1.CC(C)(C)Cc1cncc(F)c1.CC(C)(C)Cc1cnccc1F.CC(C)(C)Cc1cncs1.CC(C)(C)Cc1cocn1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cc1ncco1.CC(C)(C)Cc1nccs1.CC(C)c1ncc(CC(C)(C)C)s1.CC1=NN=C(CC(C)(C)C)C1.Cc1cc(CC(C)(C)C)n[nH]1.Cc1cncc(CC(C)(C)C)n1.Cc1nc(CC(C)(C)C)n[nH]1.Cc1ncc(CC(C)(C)C)s1.Cn1ccc(CC(C)(C)C)n1
InChIInChI=1S/C11H14F2.C11H19NS.C11H16.2C10H14FN.C10H16N2.3C10H15N.3C9H16N2.3C9H14N2.C9H15NS.C8H15N3.C8H14N2.2C8H13NO.2C8H13NS/c1-11(2,3)7-8-4-5-9(12)10(13)6-8;1-8(2)10-12-7-9(13-10)6-11(3,4)5;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)6-8-7-12-5-4-9(8)11;1-8-6-11-7-9(12-8)5-10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;2*1-7-5-8(11-10-7)6-9(2,3)4;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)6-8-4-5-10-7-11-8;1-9(2,3)7-8-10-5-4-6-11-8;1-9(2,3)7-8-5-4-6-10-11-8;1-7-10-6-8(11-7)5-9(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-8(2,3)6-7-4-5-9-10-7;1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-7-9-4-5-10-7/h4-6H,7H2,1-3H3;7-8H,6H2,1-5H3;4-8H,9H2,1-3H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3;6-7H,5H2,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5-6H2,1-4H3;5H,6H2,1-4H3,(H,10,11);5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3;2*4-6H,7H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3,(H,9,10,11);4-5H,6H2,1-3H3,(H,9,10);5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3
InChIKeyLZUGJELYSZJXIT-UHFFFAOYSA-N
XLogP56.57
TPSA412.66 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003433.30
LogP ≤ 556.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

4-(2-Amino-1,3-oxazol-4-yl)butanoic acid;3,3-difluoro-4-phenylbutanoic acid;4,4-difluoro-4-phenylbutanoic acid;3-fluoro-4-phenylbutanoic acid;4-fluoro-4-phenylbutanoic acid;4-(2-methyl-1,3-thiazol-4-yl)butanoic acid;4-(1,3-oxazol-2-yl)butanoic acid;4-(1,3-oxazol-4-yl)butanoic acid;4-pyrazin-2-ylbutanoic acid;4-pyridazin-3-ylbutanoic acid;4-pyrimidin-2-ylbutanoic acid;4-pyrimidin-4-ylbutanoic acid;4-pyrimidin-5-ylbutanoic acid;4-(1,3-thiazol-2-yl)butanoic acid;4-(1,3-thiazol-4-yl)butanoic acid
CID 157528114
1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 160119087
1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;cumene;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 160675080
2-Tert-butyl-5-ethyl-1,3,4-thiadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrimidin-4-amine;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-1,3-thiazol-2-amine;2,5-dimethyl-1,3,4-oxadiazole;2,4-dimethyl-1,3-oxazole;4-ethyl-2-methyl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-6-(trifluoromethyl)pyridine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;5-methyl-1,3,4-thiadiazol-2-amine;(2-methyl-1,3-thiazol-5-yl)methanamine;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine;2,4,5-trimethyl-1,3-oxazole
CID 161527158
CID 161609016
CID 161609016
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-Tert-butyl-4-propan-2-yl-1,3-oxazole;1,1-difluoro-4-propan-2-ylcyclohexane;1,5-dimethyl-5-propan-2-ylpyrrolidin-2-one;3-fluoro-1-propan-2-ylpyrazole;1-methyl-4-(2-methylpropyl)piperidine;4-methyl-4-propan-2-yloxane;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane;3-propan-2-ylpyridazine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 167703902
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;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;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
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tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 157171930
1,1-Dideuterioethylbenzene;2-(1,1-dideuterioethyl)-4,6-diphenylpyrimidine;4-(1,1-dideuterioethyl)-2,6-diphenylpyrimidine;2-(1,1-dideuterioethyl)pyrazine;2-(1,1-dideuterioethyl)pyridine;3-(1,1-dideuterioethyl)pyridine;4-(1,1-dideuterioethyl)pyridine;2-(1,1-dideuterioethyl)pyrimidine;4-(1,1-dideuterioethyl)pyrimidine;2-(1,1-dideuterioethyl)-1,3,4-thiadiazole;5-(1,1-dideuterioethyl)-1,2,4-thiadiazole;2-(1,1-dideuterioethyl)-1,3,5-triazine;4-(1,1-dideuterioethyl)-2,5,6-triphenylpyrimidine;4-ethyl-1,3-oxazole;3-ethyl-1,2,4-thiadiazole;4-ethyl-1,3-thiazole
CID 157175113

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole (CID 159504370) is 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole is CC(C)(C)Cc1ccc(F)c(F)c1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1ccn[nH]1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncn1.CC(C)(C)Cc1cncc(F)c1.CC(C)(C)Cc1cnccc1F.CC(C)(C)Cc1cncs1.CC(C)(C)Cc1cocn1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cc1ncco1.CC(C)(C)Cc1nccs1.CC(C)c1ncc(CC(C)(C)C)s1.CC1=NN=C(CC(C)(C)C)C1.Cc1cc(CC(C)(C)C)n[nH]1.Cc1cncc(CC(C)(C)C)n1.Cc1nc(CC(C)(C)C)n[nH]1.Cc1ncc(CC(C)(C)C)s1.Cn1ccc(CC(C)(C)C)n1.
What is the InChIKey of 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is LZUGJELYSZJXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2.C11H19NS.C11H16.2C10H14FN.C10H16N2.3C10H15N.3C9H16N2.3C9H14N2.C9H15NS.C8H15N3.C8H14N2.2C8H13NO.2C8H13NS/c1-11(2,3)7-8-4-5-9(12)10(13)6-8;1-8(2)10-12-7-9(13-10)6-11(3,4)5;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)6-8-7-12-5-4-9(8)11;1-8-6-11-7-9(12-8)5-10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;2*1-7-5-8(11-10-7)6-9(2,3)4;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)6-8-4-5-10-7-11-8;1-9(2,3)7-8-10-5-4-6-11-8;1-9(2,3)7-8-5-4-6-10-11-8;1-7-10-6-8(11-7)5-9(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-8(2,3)6-7-4-5-9-10-7;1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-7-9-4-5-10-7/h4-6H,7H2,1-3H3;7-8H,6H2,1-5H3;4-8H,9H2,1-3H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3;6-7H,5H2,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5-6H2,1-4H3;5H,6H2,1-4H3,(H,10,11);5-6H,7H2,1-4H3;4-5,7H,6H2,1-3H3;2*4-6H,7H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3,(H,9,10,11);4-5H,6H2,1-3H3,(H,9,10);5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3.
What are the key properties of 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole?
2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 3433.30 g/mol, XLogP of 56.57, 23 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;3-(2,2-dimethylpropyl)-4-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 159504370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).