2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile

C12H15N3OS — CID 116980454

IUPAC2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1ccsc1C1CN(C(C)(C)C#N)C(=O)N1
InChIInChI=1S/C12H15N3OS/c1-8-4-5-17-10(8)9-6-15(11(16)14-9)12(2,3)7-13/h4-5,9H,6H2,1-3H3,(H,14,16)
InChIKeyGTEBHJYMUQLUBW-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.42
Rot. Bonds2

About 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile

2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile (PubChem CID 116980454) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile
PubChem CID116980454
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile
SMILESCc1ccsc1C1CN(C(C)(C)C#N)C(=O)N1
InChIInChI=1S/C12H15N3OS/c1-8-4-5-17-10(8)9-6-15(11(16)14-9)12(2,3)7-13/h4-5,9H,6H2,1-3H3,(H,14,16)
InChIKeyGTEBHJYMUQLUBW-UHFFFAOYSA-N
XLogP2.42
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile (CID 116980454) is 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile is Cc1ccsc1C1CN(C(C)(C)C#N)C(=O)N1.
What is the InChIKey of 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile?
The InChIKey is GTEBHJYMUQLUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-4-5-17-10(8)9-6-15(11(16)14-9)12(2,3)7-13/h4-5,9H,6H2,1-3H3,(H,14,16).
What are the key properties of 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile?
2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile has a molecular weight of 249.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile is sourced from PubChem (CID 116980454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).