5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid

C10H15N3O3S — CID 117224730

IUPAC5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
SMILESO=C(O)c1[nH]c(=S)[nH]c1CCN1CCOCC1
InChIInChI=1S/C10H15N3O3S/c14-9(15)8-7(11-10(17)12-8)1-2-13-3-5-16-6-4-13/h1-6H2,(H,14,15)(H2,11,12,17)
InChIKeyYZNKZCJBOWNSFS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.65
Rot. Bonds4

About 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid

5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid (PubChem CID 117224730) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
PubChem CID117224730
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
SMILESO=C(O)c1[nH]c(=S)[nH]c1CCN1CCOCC1
InChIInChI=1S/C10H15N3O3S/c14-9(15)8-7(11-10(17)12-8)1-2-13-3-5-16-6-4-13/h1-6H2,(H,14,15)(H2,11,12,17)
InChIKeyYZNKZCJBOWNSFS-UHFFFAOYSA-N
XLogP0.65
TPSA81.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid with MolForge

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Related Compounds

3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140382
4-(2-morpholin-4-ylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62897666
3-bromo-4-(2-morpholin-4-ylethyl)benzoic acid
CID 70093082
5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 1249876
2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid
CID 82560173
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
2-(2-morpholin-4-ylethyl)-1H-pyrrol-3-amine
CID 82400247
3-(2-morpholin-4-ylethylsulfinyl)propanoic acid
CID 60982979
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 38997261
1-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylic acid
CID 22660163
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid?
The IUPAC name of 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid (CID 117224730) is 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid?
The canonical SMILES for 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid is O=C(O)c1[nH]c(=S)[nH]c1CCN1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid?
The InChIKey is YZNKZCJBOWNSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-9(15)8-7(11-10(17)12-8)1-2-13-3-5-16-6-4-13/h1-6H2,(H,14,15)(H2,11,12,17).
What are the key properties of 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid?
5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid is sourced from PubChem (CID 117224730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).