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

C10H19N3OS — CID 81335331

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione
SMILESCOCCN(C)CCn1c(C)c[nH]c1=S
InChIInChI=1S/C10H19N3OS/c1-9-8-11-10(15)13(9)5-4-12(2)6-7-14-3/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyCAGCNORBCSZYOF-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.43
Rot. Bonds6

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

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione (PubChem CID 81335331) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione
PubChem CID81335331
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione
SMILESCOCCN(C)CCn1c(C)c[nH]c1=S
InChIInChI=1S/C10H19N3OS/c1-9-8-11-10(15)13(9)5-4-12(2)6-7-14-3/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyCAGCNORBCSZYOF-UHFFFAOYSA-N
XLogP1.43
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-1-(2-methoxyethyl)-1H-imidazole-2-thiol
CID 12519159
4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 81335926
3-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1H-imidazole-2-thione
CID 105905338
1-(2-methoxyethyl)-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519162
4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione
CID 144680428
3-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 28289712
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione
CID 62844350
3-(2-butoxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862790
3-(1-methoxypropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863162
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64863562
3-(2-ethoxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863740
3-(2-morpholin-4-ylethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64864320

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione (CID 81335331) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione is COCCN(C)CCn1c(C)c[nH]c1=S.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione?
The InChIKey is CAGCNORBCSZYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-9-8-11-10(15)13(9)5-4-12(2)6-7-14-3/h8H,4-7H2,1-3H3,(H,11,15).
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione has a molecular weight of 229.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81335331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).