1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane

C100H143FN18OS2 — CID 159945748

IUPAC1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane
SMILESC.C.CC(C)(C)c1cnn2c1CCC(C#N)C2.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1CC1c1cc(C(C)(C)C)on1.CCc1ccn2ccc(C(C)(C)C)c2c1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(C(C)(C)C)n2ncnc2n1.Cc1nc2sccn2c1C(C)(C)C.Cc1nccc2sc(C(C)(C)C)nc12
InChIInChI=1S/C17H24N2.C14H17FN2.C14H19N.C12H17N3.C11H14N2S.C11H17NO.C10H14N2S.C9H13N5.2CH4/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-5-11-6-8-15-9-7-12(13(15)10-11)14(2,3)4;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-7-9-8(5-6-12-7)14-10(13-9)11(2,3)4;1-7-5-8(7)9-6-10(13-12-9)11(2,3)4;1-7-8(10(2,3)4)12-5-6-13-9(12)11-7;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14;;/h8-10H,1-7H3;5-9H,1-4H3;6-10H,5H2,1-4H3;7,9H,4-5,8H2,1-3H3;5-6H,1-4H3;6-8H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;2*1H4
InChIKeyOBLQFYQQIHJNNV-UHFFFAOYSA-N
MW1696.50 g/mol
LogP26.16
Rot. Bonds4

About 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane

1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane (PubChem CID 159945748) has the molecular formula C100H143FN18OS2 and a molecular weight of 1696.50 g/mol. Its IUPAC name is 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane.

Molecular Properties

Compound Name1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane
PubChem CID159945748
Molecular FormulaC100H143FN18OS2
Molecular Weight1696.50 g/mol
Exact Mass1695.11
IUPAC Name1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane
SMILESC.C.CC(C)(C)c1cnn2c1CCC(C#N)C2.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1CC1c1cc(C(C)(C)C)on1.CCc1ccn2ccc(C(C)(C)C)c2c1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(C(C)(C)C)n2ncnc2n1.Cc1nc2sccn2c1C(C)(C)C.Cc1nccc2sc(C(C)(C)C)nc12
InChIInChI=1S/C17H24N2.C14H17FN2.C14H19N.C12H17N3.C11H14N2S.C11H17NO.C10H14N2S.C9H13N5.2CH4/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-5-11-6-8-15-9-7-12(13(15)10-11)14(2,3)4;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-7-9-8(5-6-12-7)14-10(13-9)11(2,3)4;1-7-5-8(7)9-6-10(13-12-9)11(2,3)4;1-7-8(10(2,3)4)12-5-6-13-9(12)11-7;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14;;/h8-10H,1-7H3;5-9H,1-4H3;6-10H,5H2,1-4H3;7,9H,4-5,8H2,1-3H3;5-6H,1-4H3;6-8H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;2*1H4
InChIKeyOBLQFYQQIHJNNV-UHFFFAOYSA-N
XLogP26.16
TPSA206.74 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds4
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.50
LogP ≤ 526.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane?
The IUPAC name of 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane (CID 159945748) is 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane.
What is the SMILES notation for 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane?
The canonical SMILES for 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane is C.C.CC(C)(C)c1cnn2c1CCC(C#N)C2.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1CC1c1cc(C(C)(C)C)on1.CCc1ccn2ccc(C(C)(C)C)c2c1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(C(C)(C)C)n2ncnc2n1.Cc1nc2sccn2c1C(C)(C)C.Cc1nccc2sc(C(C)(C)C)nc12.
What is the InChIKey of 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane?
The InChIKey is OBLQFYQQIHJNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.C14H17FN2.C14H19N.C12H17N3.C11H14N2S.C11H17NO.C10H14N2S.C9H13N5.2CH4/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-5-11-6-8-15-9-7-12(13(15)10-11)14(2,3)4;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-7-9-8(5-6-12-7)14-10(13-9)11(2,3)4;1-7-5-8(7)9-6-10(13-12-9)11(2,3)4;1-7-8(10(2,3)4)12-5-6-13-9(12)11-7;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14;;/h8-10H,1-7H3;5-9H,1-4H3;6-10H,5H2,1-4H3;7,9H,4-5,8H2,1-3H3;5-6H,1-4H3;6-8H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;2*1H4.
What are the key properties of 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane?
1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane has a molecular weight of 1696.50 g/mol, XLogP of 26.16, 4 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane is sourced from PubChem (CID 159945748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).