2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole

C78H130N6O3S5 — CID 159961461

IUPAC2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole
SMILESCC(C)c1cc(C(C)C)sn1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nsc(C(C)C)n1.Cc1cc(C(C)C)oc1C(C)C.Cc1nc(C(C)(C)C)sc1C(C)C.Cc1nc(C(C)C)oc1C(C)C
InChIInChI=1S/C11H19NS.C11H18O.C10H17NO.C10H16O.C10H16S.2C9H15NS.C8H14N2S/c1-7(2)9-8(3)12-10(13-9)11(4,5)6;1-7(2)10-6-9(5)11(12-10)8(3)4;1-6(2)9-8(5)11-10(12-9)7(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-8(6(3)4)11-10-7/h7H,1-6H3;6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3
InChIKeyODJRXKTUXPMLRB-UHFFFAOYSA-N
MW1360.27 g/mol
LogP28.02
Rot. Bonds15

About 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole

2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole (PubChem CID 159961461) has the molecular formula C78H130N6O3S5 and a molecular weight of 1360.27 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole
PubChem CID159961461
Molecular FormulaC78H130N6O3S5
Molecular Weight1360.27 g/mol
Exact Mass1358.88
IUPAC Name2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole
SMILESCC(C)c1cc(C(C)C)sn1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nsc(C(C)C)n1.Cc1cc(C(C)C)oc1C(C)C.Cc1nc(C(C)(C)C)sc1C(C)C.Cc1nc(C(C)C)oc1C(C)C
InChIInChI=1S/C11H19NS.C11H18O.C10H17NO.C10H16O.C10H16S.2C9H15NS.C8H14N2S/c1-7(2)9-8(3)12-10(13-9)11(4,5)6;1-7(2)10-6-9(5)11(12-10)8(3)4;1-6(2)9-8(5)11-10(12-9)7(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-8(6(3)4)11-10-7/h7H,1-6H3;6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3
InChIKeyODJRXKTUXPMLRB-UHFFFAOYSA-N
XLogP28.02
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001360.27
LogP ≤ 528.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole with MolForge

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Related Compounds

Methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene
CID 157224691
2-Tert-butyl-4-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)furan;4-tert-butyl-2-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)-1,3,4-oxadiazole;5-tert-butyl-3-(3,3-dimethylbutyl)-1,2,4-oxadiazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1,3-oxazole;2-tert-butyl-5-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2-oxazole;4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-3-(3,3-dimethylbutyl)-1,2-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-thiazole
CID 157465080
2,5-Di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole
CID 157686913
2,5-Ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3-oxazole;1,4-ditert-butylpyrazole;2,5-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene
CID 157697689
2,5-Di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-2,4-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)thiophene
CID 158129694
bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;5-tert-butyl-2H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;bis(2-tert-butylthiophene);3-tert-butylthiophene
CID 158287449
2-Tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 158290683
2-Tert-butyl-4-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)furan;4-tert-butyl-2-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)-1,3,4-oxadiazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;5-tert-butyl-3-(3,3-dimethylbutyl)-1,2,4-oxadiazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1,3-oxazole;2-tert-butyl-5-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2-oxazole;4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-3-(3,3-dimethylbutyl)-1,2-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-thiazole
CID 158678799
Methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
CID 158944205
bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,4-thiadiazole;tris(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(2-tert-butylthiophene);methane
CID 158946260
Bis(4,5-dimethyl-2-propan-2-yl-1,3-oxazole);1,4-dimethyl-2-propan-2-ylpyrrole;bis(4,5-dimethyl-2-propan-2-yl-1,3-thiazole);ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylthiophene;bis(1,4,5-trimethyl-2-propan-2-ylimidazole)
CID 159005479
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);tris(2-tert-butylthiophene);bis(3-tert-butylthiophene)
CID 159137371

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole (CID 159961461) is 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole is CC(C)c1cc(C(C)C)sn1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nsc(C(C)C)n1.Cc1cc(C(C)C)oc1C(C)C.Cc1nc(C(C)(C)C)sc1C(C)C.Cc1nc(C(C)C)oc1C(C)C.
What is the InChIKey of 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole?
The InChIKey is ODJRXKTUXPMLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS.C11H18O.C10H17NO.C10H16O.C10H16S.2C9H15NS.C8H14N2S/c1-7(2)9-8(3)12-10(13-9)11(4,5)6;1-7(2)10-6-9(5)11(12-10)8(3)4;1-6(2)9-8(5)11-10(12-9)7(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-8(6(3)4)11-10-7/h7H,1-6H3;6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole?
2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole has a molecular weight of 1360.27 g/mol, XLogP of 28.02, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-5-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole is sourced from PubChem (CID 159961461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).