5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile

C11H12N4OS — CID 136542924

IUPAC5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(N2CC(=O)N(C3CC3)C2)c1C#N
InChIInChI=1S/C11H12N4OS/c1-7-9(4-12)11(17-13-7)14-5-10(16)15(6-14)8-2-3-8/h8H,2-3,5-6H2,1H3
InChIKeyLJDYGSSJDXRQNE-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.09
Rot. Bonds2

About 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile

5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 136542924) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID136542924
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(N2CC(=O)N(C3CC3)C2)c1C#N
InChIInChI=1S/C11H12N4OS/c1-7-9(4-12)11(17-13-7)14-5-10(16)15(6-14)8-2-3-8/h8H,2-3,5-6H2,1H3
InChIKeyLJDYGSSJDXRQNE-UHFFFAOYSA-N
XLogP1.09
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile (CID 136542924) is 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile is Cc1nsc(N2CC(=O)N(C3CC3)C2)c1C#N.
What is the InChIKey of 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is LJDYGSSJDXRQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-9(4-12)11(17-13-7)14-5-10(16)15(6-14)8-2-3-8/h8H,2-3,5-6H2,1H3.
What are the key properties of 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile?
5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 248.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 136542924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).