4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione

C12H15N3O3S — CID 54044276

IUPAC4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione
SMILESOCCOCCn1cc(O)n(-c2ccccn2)c1=S
InChIInChI=1S/C12H15N3O3S/c16-6-8-18-7-5-14-9-11(17)15(12(14)19)10-3-1-2-4-13-10/h1-4,9,16-17H,5-8H2
InChIKeyLOLYMKZUEKWNTM-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.12
Rot. Bonds6

About 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione

4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione (PubChem CID 54044276) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione
PubChem CID54044276
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione
SMILESOCCOCCn1cc(O)n(-c2ccccn2)c1=S
InChIInChI=1S/C12H15N3O3S/c16-6-8-18-7-5-14-9-11(17)15(12(14)19)10-3-1-2-4-13-10/h1-4,9,16-17H,5-8H2
InChIKeyLOLYMKZUEKWNTM-UHFFFAOYSA-N
XLogP1.12
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one
CID 91433414
2-[2-(2-methylimidazol-1-yl)ethoxy]ethanol
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2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine
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2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol
CID 95119881
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 79346353
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 111432773
2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one
CID 62849613
3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39754273
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one
CID 22922573
2-[2-[2-(ethylaminomethyl)imidazol-1-yl]ethoxy]ethanol
CID 62221793

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione?
The IUPAC name of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione (CID 54044276) is 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione.
What is the SMILES notation for 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione?
The canonical SMILES for 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione is OCCOCCn1cc(O)n(-c2ccccn2)c1=S.
What is the InChIKey of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione?
The InChIKey is LOLYMKZUEKWNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-6-8-18-7-5-14-9-11(17)15(12(14)19)10-3-1-2-4-13-10/h1-4,9,16-17H,5-8H2.
What are the key properties of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione?
4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione has a molecular weight of 281.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione is sourced from PubChem (CID 54044276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).