1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole

C26H41N5OS — CID 159468515

IUPAC1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole
SMILESCC1=NC(C)=C(C)C1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C
InChIInChI=1S/C7H12N2.C7H11N.C6H9NO.C6H9NS/c1-5-6(2)9(4)7(3)8-5;1-5-4-6(2)8-7(5)3;2*1-4-5(2)8-6(3)7-4/h1-4H3;4H2,1-3H3;2*1-3H3
InChIKeyLVMQGZZWGZAWCB-UHFFFAOYSA-N
MW471.72 g/mol
LogP7.16
Rot. Bonds

About 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole

1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole (PubChem CID 159468515) has the molecular formula C26H41N5OS and a molecular weight of 471.72 g/mol. Its IUPAC name is 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

Compound Name1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole
PubChem CID159468515
Molecular FormulaC26H41N5OS
Molecular Weight471.72 g/mol
Exact Mass471.30
IUPAC Name1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole
SMILESCC1=NC(C)=C(C)C1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C
InChIInChI=1S/C7H12N2.C7H11N.C6H9NO.C6H9NS/c1-5-6(2)9(4)7(3)8-5;1-5-4-6(2)8-7(5)3;2*1-4-5(2)8-6(3)7-4/h1-4H3;4H2,1-3H3;2*1-3H3
InChIKeyLVMQGZZWGZAWCB-UHFFFAOYSA-N
XLogP7.16
TPSA69.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.72
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole with MolForge

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Related Compounds

2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole
CID 159151122
Bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)
CID 162090984

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole?
The IUPAC name of 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole (CID 159468515) is 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole.
What is the SMILES notation for 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole?
The canonical SMILES for 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole is CC1=NC(C)=C(C)C1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.
What is the InChIKey of 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole?
The InChIKey is LVMQGZZWGZAWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C7H11N.C6H9NO.C6H9NS/c1-5-6(2)9(4)7(3)8-5;1-5-4-6(2)8-7(5)3;2*1-4-5(2)8-6(3)7-4/h1-4H3;4H2,1-3H3;2*1-3H3.
What are the key properties of 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole?
1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 471.72 g/mol, XLogP of 7.16, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159468515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).