1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane

C125H226N14O2S3 — CID 160908913

IUPAC1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane
SMILESCC.CC.CC.CC.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)c1cn(C(C)(C)C)cn1.Cc1c(C(C)(C)C)nnn1C(C)(C)C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/C14H22.2C13H21N.C12H21NO.2C12H21NS.C11H21N3.C10H18N2O.C10H18N2S.C10H18N2.4C2H6/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(10(2,3)4)12-13-14(8)11(5,6)7;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2)9-6-12(7-11-9)10(3,4)5;4*1-2/h7-10H,1-6H3;2*7-9H,1-6H3;4*1-7H3;2*1-6H3;6-8H,1-5H3;4*1-2H3
InChIKeySQNACRTYWAWIDG-UHFFFAOYSA-N
MW2053.48 g/mol
LogP38.61
Rot. Bonds1

About 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane

1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane (PubChem CID 160908913) has the molecular formula C125H226N14O2S3 and a molecular weight of 2053.48 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane
PubChem CID160908913
Molecular FormulaC125H226N14O2S3
Molecular Weight2053.48 g/mol
Exact Mass2051.72
IUPAC Name1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane
SMILESCC.CC.CC.CC.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)c1cn(C(C)(C)C)cn1.Cc1c(C(C)(C)C)nnn1C(C)(C)C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/C14H22.2C13H21N.C12H21NO.2C12H21NS.C11H21N3.C10H18N2O.C10H18N2S.C10H18N2.4C2H6/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(10(2,3)4)12-13-14(8)11(5,6)7;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2)9-6-12(7-11-9)10(3,4)5;4*1-2/h7-10H,1-6H3;2*7-9H,1-6H3;4*1-7H3;2*1-6H3;6-8H,1-5H3;4*1-2H3
InChIKeySQNACRTYWAWIDG-UHFFFAOYSA-N
XLogP38.61
TPSA190.82 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds1
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002053.48
LogP ≤ 538.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane?
The IUPAC name of 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane (CID 160908913) is 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane is CC.CC.CC.CC.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)c1cn(C(C)(C)C)cn1.Cc1c(C(C)(C)C)nnn1C(C)(C)C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane?
The InChIKey is SQNACRTYWAWIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.2C13H21N.C12H21NO.2C12H21NS.C11H21N3.C10H18N2O.C10H18N2S.C10H18N2.4C2H6/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(10(2,3)4)12-13-14(8)11(5,6)7;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2)9-6-12(7-11-9)10(3,4)5;4*1-2/h7-10H,1-6H3;2*7-9H,1-6H3;4*1-7H3;2*1-6H3;6-8H,1-5H3;4*1-2H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane?
1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane has a molecular weight of 2053.48 g/mol, XLogP of 38.61, 1 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;ethane is sourced from PubChem (CID 160908913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).