1,3-dimethyl-2-thiophen-2-ylimidazolidine

C9H14N2S — CID 2797481

IUPAC1,3-dimethyl-2-thiophen-2-ylimidazolidine
SMILESCN1CCN(C)C1c1cccs1
InChIInChI=1S/C9H14N2S/c1-10-5-6-11(2)9(10)8-4-3-7-12-8/h3-4,7,9H,5-6H2,1-2H3
InChIKeyHIHONCXGFIYIJX-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.62
Rot. Bonds1

About 1,3-dimethyl-2-thiophen-2-ylimidazolidine

1,3-dimethyl-2-thiophen-2-ylimidazolidine (PubChem CID 2797481) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 1,3-dimethyl-2-thiophen-2-ylimidazolidine.

Molecular Properties

Compound Name1,3-dimethyl-2-thiophen-2-ylimidazolidine
PubChem CID2797481
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name1,3-dimethyl-2-thiophen-2-ylimidazolidine
SMILESCN1CCN(C)C1c1cccs1
InChIInChI=1S/C9H14N2S/c1-10-5-6-11(2)9(10)8-4-3-7-12-8/h3-4,7,9H,5-6H2,1-2H3
InChIKeyHIHONCXGFIYIJX-UHFFFAOYSA-N
XLogP1.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-thiophen-2-ylimidazolidine?
The IUPAC name of 1,3-dimethyl-2-thiophen-2-ylimidazolidine (CID 2797481) is 1,3-dimethyl-2-thiophen-2-ylimidazolidine.
What is the SMILES notation for 1,3-dimethyl-2-thiophen-2-ylimidazolidine?
The canonical SMILES for 1,3-dimethyl-2-thiophen-2-ylimidazolidine is CN1CCN(C)C1c1cccs1.
What is the InChIKey of 1,3-dimethyl-2-thiophen-2-ylimidazolidine?
The InChIKey is HIHONCXGFIYIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-10-5-6-11(2)9(10)8-4-3-7-12-8/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-thiophen-2-ylimidazolidine?
1,3-dimethyl-2-thiophen-2-ylimidazolidine has a molecular weight of 182.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-thiophen-2-ylimidazolidine is sourced from PubChem (CID 2797481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).