1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine

C33H48N8O4S — CID 160769831

IUPAC1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine
SMILESCN1CCN(C)C1=O.CN1CCOC1=O.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ncncn1
InChIInChI=1S/C5H10N2O.2C5H7N.C5H6O.C5H6S.C4H5N3.C4H7NO2/c1-6-3-4-7(2)5(6)8;1-5-2-3-6-4-5;3*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-5-2-3-7-4(5)6/h3-4H2,1-2H3;2*2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3;2-3H2,1H3
InChIKeyRZDYHWQDHQFYPZ-UHFFFAOYSA-N
MW652.87 g/mol
LogP6.52
Rot. Bonds

About 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine

1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine (PubChem CID 160769831) has the molecular formula C33H48N8O4S and a molecular weight of 652.87 g/mol. Its IUPAC name is 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine.

Molecular Properties

Compound Name1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine
PubChem CID160769831
Molecular FormulaC33H48N8O4S
Molecular Weight652.87 g/mol
Exact Mass652.35
IUPAC Name1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine
SMILESCN1CCN(C)C1=O.CN1CCOC1=O.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ncncn1
InChIInChI=1S/C5H10N2O.2C5H7N.C5H6O.C5H6S.C4H5N3.C4H7NO2/c1-6-3-4-7(2)5(6)8;1-5-2-3-6-4-5;3*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-5-2-3-7-4(5)6/h3-4H2,1-2H3;2*2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3;2-3H2,1H3
InChIKeyRZDYHWQDHQFYPZ-UHFFFAOYSA-N
XLogP6.52
TPSA136.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.87
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine?
The IUPAC name of 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine (CID 160769831) is 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine.
What is the SMILES notation for 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine?
The canonical SMILES for 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine is CN1CCN(C)C1=O.CN1CCOC1=O.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ncncn1.
What is the InChIKey of 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine?
The InChIKey is RZDYHWQDHQFYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.2C5H7N.C5H6O.C5H6S.C4H5N3.C4H7NO2/c1-6-3-4-7(2)5(6)8;1-5-2-3-6-4-5;3*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-5-2-3-7-4(5)6/h3-4H2,1-2H3;2*2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3;2-3H2,1H3.
What are the key properties of 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine?
1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine has a molecular weight of 652.87 g/mol, XLogP of 6.52, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazolidin-2-one;2-methylfuran;3-methyl-1,3-oxazolidin-2-one;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;2-methyl-1,3,5-triazine is sourced from PubChem (CID 160769831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).