2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)

C36H64N6OS2 — CID 159486422

IUPAC2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)
SMILESC.C.C.C.Cc1cccnc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C
InChIInChI=1S/C7H12N2.C7H9N.C6H9NO.2C6H9NS.4CH4/c1-5-6(2)8-9(4)7(5)3;1-6-4-3-5-8-7(6)2;3*1-4-5(2)8-6(3)7-4;;;;/h1-4H3;3-5H,1-2H3;3*1-3H3;4*1H4
InChIKeyLXQINMZGLSLMLX-UHFFFAOYSA-N
MW661.08 g/mol
LogP11.32
Rot. Bonds

About 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)

2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole) (PubChem CID 159486422) has the molecular formula C36H64N6OS2 and a molecular weight of 661.08 g/mol. Its IUPAC name is 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole).

Molecular Properties

Compound Name2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)
PubChem CID159486422
Molecular FormulaC36H64N6OS2
Molecular Weight661.08 g/mol
Exact Mass660.46
IUPAC Name2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)
SMILESC.C.C.C.Cc1cccnc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C
InChIInChI=1S/C7H12N2.C7H9N.C6H9NO.2C6H9NS.4CH4/c1-5-6(2)8-9(4)7(5)3;1-6-4-3-5-8-7(6)2;3*1-4-5(2)8-6(3)7-4;;;;/h1-4H3;3-5H,1-2H3;3*1-3H3;4*1H4
InChIKeyLXQINMZGLSLMLX-UHFFFAOYSA-N
XLogP11.32
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.08
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)?
The IUPAC name of 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole) (CID 159486422) is 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole).
What is the SMILES notation for 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)?
The canonical SMILES for 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole) is C.C.C.C.Cc1cccnc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.
What is the InChIKey of 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)?
The InChIKey is LXQINMZGLSLMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C7H9N.C6H9NO.2C6H9NS.4CH4/c1-5-6(2)8-9(4)7(5)3;1-6-4-3-5-8-7(6)2;3*1-4-5(2)8-6(3)7-4;;;;/h1-4H3;3-5H,1-2H3;3*1-3H3;4*1H4.
What are the key properties of 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole)?
2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole) has a molecular weight of 661.08 g/mol, XLogP of 11.32, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyridine;methane;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole) is sourced from PubChem (CID 159486422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).