1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone

C10H15N3OS — CID 130502100

IUPAC1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C2CSCCN2C)[nH]1
InChIInChI=1S/C10H15N3OS/c1-7(14)8-5-11-10(12-8)9-6-15-4-3-13(9)2/h5,9H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyRNLOWURXFGAKGX-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.33
Rot. Bonds2

About 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone

1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone (PubChem CID 130502100) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone
PubChem CID130502100
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C2CSCCN2C)[nH]1
InChIInChI=1S/C10H15N3OS/c1-7(14)8-5-11-10(12-8)9-6-15-4-3-13(9)2/h5,9H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyRNLOWURXFGAKGX-UHFFFAOYSA-N
XLogP1.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone (CID 130502100) is 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone is CC(=O)c1cnc(C2CSCCN2C)[nH]1.
What is the InChIKey of 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone?
The InChIKey is RNLOWURXFGAKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(14)8-5-11-10(12-8)9-6-15-4-3-13(9)2/h5,9H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone?
1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone has a molecular weight of 225.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylthiomorpholin-3-yl)-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 130502100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).