2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene

C54H82N6O2S2 — CID 158604568

IUPAC2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene
SMILESCc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1cc(C)n(C)n1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1nc(C)n(C)c1C
InChIInChI=1S/C8H13N.C7H12N2.C7H11N.C7H10O.C7H10S.C6H10N2.C6H8O.C6H8S/c1-6-5-7(2)9(4)8(6)3;1-5-6(2)9(4)7(3)8-5;1-6-4-5-7(2)8(6)3;2*1-5-4-6(2)8-7(5)3;1-5-4-6(2)8(3)7-5;2*1-5-3-4-6(2)7-5/h5H,1-4H3;1-4H3;4-5H,1-3H3;3*4H,1-3H3;2*3-4H,1-2H3
InChIKeyHWBALAJITODPCM-UHFFFAOYSA-N
MW911.42 g/mol
LogP15.11
Rot. Bonds

About 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene

2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene (PubChem CID 158604568) has the molecular formula C54H82N6O2S2 and a molecular weight of 911.42 g/mol. Its IUPAC name is 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene.

Molecular Properties

Compound Name2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene
PubChem CID158604568
Molecular FormulaC54H82N6O2S2
Molecular Weight911.42 g/mol
Exact Mass910.59
IUPAC Name2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene
SMILESCc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1cc(C)n(C)n1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1nc(C)n(C)c1C
InChIInChI=1S/C8H13N.C7H12N2.C7H11N.C7H10O.C7H10S.C6H10N2.C6H8O.C6H8S/c1-6-5-7(2)9(4)8(6)3;1-5-6(2)9(4)7(3)8-5;1-6-4-5-7(2)8(6)3;2*1-5-4-6(2)8-7(5)3;1-5-4-6(2)8(3)7-5;2*1-5-3-4-6(2)7-5/h5H,1-4H3;1-4H3;4-5H,1-3H3;3*4H,1-3H3;2*3-4H,1-2H3
InChIKeyHWBALAJITODPCM-UHFFFAOYSA-N
XLogP15.11
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.42
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene with MolForge

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Related Compounds

(5Z)-5-(furan-2-ylmethylidene)-2-[3-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 122183068
2,5-Dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene
CID 157075972
2,5-Dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole
CID 160547965
2,5-Dimethylfuran;1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);2,4,5-trimethyl-1,3-oxazole;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole
CID 157790909
Ethane;methane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;toluene
CID 157900253
bis(1-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;1-tert-butylpyrazole;2-tert-butyl-2H-pyrrole;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2-thiazole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1,3-ditert-butylpyrrole;methane
CID 158386371
Tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)
CID 158793589
2,4-Dimethylfuran;1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;bis(1,3-dimethylpyrrole);2,4-dimethylthiophene;ethane;methane;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-oxazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole
CID 159045832
Ethane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 159707256
2,3-Dimethylfuran;2,3-dimethylpyridine;2,3-dimethylthiophene;ethane;bis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(3,4,5-trimethyl-1,2-oxazole);1,2,3-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole
CID 160285024
Ethane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 161124943
Ethane;2-methylfuran;bis(1-methylimidazole);1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;4-methyl-1,2,4-triazole;toluene
CID 161331792

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene?
The IUPAC name of 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene (CID 158604568) is 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene.
What is the SMILES notation for 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene?
The canonical SMILES for 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene is Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1cc(C)n(C)n1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1nc(C)n(C)c1C.
What is the InChIKey of 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene?
The InChIKey is HWBALAJITODPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C7H12N2.C7H11N.C7H10O.C7H10S.C6H10N2.C6H8O.C6H8S/c1-6-5-7(2)9(4)8(6)3;1-5-6(2)9(4)7(3)8-5;1-6-4-5-7(2)8(6)3;2*1-5-4-6(2)8-7(5)3;1-5-4-6(2)8(3)7-5;2*1-5-3-4-6(2)7-5/h5H,1-4H3;1-4H3;4-5H,1-3H3;3*4H,1-3H3;2*3-4H,1-2H3.
What are the key properties of 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene?
2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene has a molecular weight of 911.42 g/mol, XLogP of 15.11, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene is sourced from PubChem (CID 158604568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).