4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione

C11H19N3O2S — CID 66146773

IUPAC4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione
SMILESCC(CN1CCOCC1)n1c(CO)c[nH]c1=S
InChIInChI=1S/C11H19N3O2S/c1-9(7-13-2-4-16-5-3-13)14-10(8-15)6-12-11(14)17/h6,9,15H,2-5,7-8H2,1H3,(H,12,17)
InChIKeyWZUCXDXISQULRD-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.93
Rot. Bonds4

About 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione

4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione (PubChem CID 66146773) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione
PubChem CID66146773
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione
SMILESCC(CN1CCOCC1)n1c(CO)c[nH]c1=S
InChIInChI=1S/C11H19N3O2S/c1-9(7-13-2-4-16-5-3-13)14-10(8-15)6-12-11(14)17/h6,9,15H,2-5,7-8H2,1H3,(H,12,17)
InChIKeyWZUCXDXISQULRD-UHFFFAOYSA-N
XLogP0.93
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione?
The IUPAC name of 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione (CID 66146773) is 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione?
The canonical SMILES for 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione is CC(CN1CCOCC1)n1c(CO)c[nH]c1=S.
What is the InChIKey of 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione?
The InChIKey is WZUCXDXISQULRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(7-13-2-4-16-5-3-13)14-10(8-15)6-12-11(14)17/h6,9,15H,2-5,7-8H2,1H3,(H,12,17).
What are the key properties of 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione?
4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione has a molecular weight of 257.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione is sourced from PubChem (CID 66146773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).