3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione

C12H21N3OS — CID 79072169

IUPAC3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CC1CN(C)CCO1
InChIInChI=1S/C12H21N3OS/c1-9(2)11-6-13-12(17)15(11)8-10-7-14(3)4-5-16-10/h6,9-10H,4-5,7-8H2,1-3H3,(H,13,17)
InChIKeyOGIAPTAQYWZWSK-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.00
Rot. Bonds3

About 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione

3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 79072169) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID79072169
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CC1CN(C)CCO1
InChIInChI=1S/C12H21N3OS/c1-9(2)11-6-13-12(17)15(11)8-10-7-14(3)4-5-16-10/h6,9-10H,4-5,7-8H2,1-3H3,(H,13,17)
InChIKeyOGIAPTAQYWZWSK-UHFFFAOYSA-N
XLogP2.00
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 105905340
1-(2-methoxyethyl)-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519162
3-[2-(3-methylbutoxy)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64862789
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-cyclopentyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863189
3-(2-cyclohexyloxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863376
3-(oxan-2-ylmethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863558
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
3-(1-morpholin-4-ylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64864329

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione (CID 79072169) is 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1CC1CN(C)CCO1.
What is the InChIKey of 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is OGIAPTAQYWZWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)11-6-13-12(17)15(11)8-10-7-14(3)4-5-16-10/h6,9-10H,4-5,7-8H2,1-3H3,(H,13,17).
What are the key properties of 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 255.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 79072169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).