4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione

C10H19N3O2S — CID 66145727

IUPAC4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione
SMILESCOCCN(C)CCn1c(CO)c[nH]c1=S
InChIInChI=1S/C10H19N3O2S/c1-12(5-6-15-2)3-4-13-9(8-14)7-11-10(13)16/h7,14H,3-6,8H2,1-2H3,(H,11,16)
InChIKeyHLNFHMMNHPLDPO-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.62
Rot. Bonds7

About 4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione

4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione (PubChem CID 66145727) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione
PubChem CID66145727
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione
SMILESCOCCN(C)CCn1c(CO)c[nH]c1=S
InChIInChI=1S/C10H19N3O2S/c1-12(5-6-15-2)3-4-13-9(8-14)7-11-10(13)16/h7,14H,3-6,8H2,1-2H3,(H,11,16)
InChIKeyHLNFHMMNHPLDPO-UHFFFAOYSA-N
XLogP0.62
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.62
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-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
The IUPAC name of 4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione (CID 66145727) is 4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione is COCCN(C)CCn1c(CO)c[nH]c1=S.
What is the InChIKey of 4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
The InChIKey is HLNFHMMNHPLDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-12(5-6-15-2)3-4-13-9(8-14)7-11-10(13)16/h7,14H,3-6,8H2,1-2H3,(H,11,16).
What are the key properties of 4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione has a molecular weight of 245.35 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 66145727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).