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

C38H71N5O2S — CID 158944205

IUPACmethane;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
SMILESC.C.C.C.C.Cc1cc(C)c(C)o1.Cc1cc(C)n(C)c1C.Cc1cn(C)c(C)n1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1
InChIInChI=1S/C8H13N.C7H10O.C6H10N2.C6H9NO.C6H9NS.5CH4/c1-6-5-7(2)9(4)8(6)3;1-5-4-6(2)8-7(5)3;1-5-4-8(3)6(2)7-5;2*1-4-5(2)8-6(3)7-4;;;;;/h5H,1-4H3;2*4H,1-3H3;2*1-3H3;5*1H4
InChIKeyJKPSITSLQWWMDZ-UHFFFAOYSA-N
MW662.09 g/mol
LogP12.04
Rot. Bonds

About 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

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 (PubChem CID 158944205) has the molecular formula C38H71N5O2S and a molecular weight of 662.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID158944205
Molecular FormulaC38H71N5O2S
Molecular Weight662.09 g/mol
Exact Mass661.53
IUPAC Namemethane;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
SMILESC.C.C.C.C.Cc1cc(C)c(C)o1.Cc1cc(C)n(C)c1C.Cc1cn(C)c(C)n1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1
InChIInChI=1S/C8H13N.C7H10O.C6H10N2.C6H9NO.C6H9NS.5CH4/c1-6-5-7(2)9(4)8(6)3;1-5-4-6(2)8-7(5)3;1-5-4-8(3)6(2)7-5;2*1-4-5(2)8-6(3)7-4;;;;;/h5H,1-4H3;2*4H,1-3H3;2*1-3H3;5*1H4
InChIKeyJKPSITSLQWWMDZ-UHFFFAOYSA-N
XLogP12.04
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.09
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.Cc1cc(C)c(C)o1.Cc1cc(C)n(C)c1C.Cc1cn(C)c(C)n1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.
What is the InChIKey of 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?
The InChIKey is JKPSITSLQWWMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C7H10O.C6H10N2.C6H9NO.C6H9NS.5CH4/c1-6-5-7(2)9(4)8(6)3;1-5-4-6(2)8-7(5)3;1-5-4-8(3)6(2)7-5;2*1-4-5(2)8-6(3)7-4;;;;;/h5H,1-4H3;2*4H,1-3H3;2*1-3H3;5*1H4.
What are the key properties of 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?
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 has a molecular weight of 662.09 g/mol, XLogP of 12.04, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158944205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).