4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione

C11H19N3OS — CID 81335774

IUPAC4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1C(C)CN1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-9-7-12-11(16)14(9)10(2)8-13-3-5-15-6-4-13/h7,10H,3-6,8H2,1-2H3,(H,12,16)
InChIKeyWJDVYZPRNUJIMI-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.75
Rot. Bonds3

About 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione

4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione (PubChem CID 81335774) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione
PubChem CID81335774
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1C(C)CN1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-9-7-12-11(16)14(9)10(2)8-13-3-5-15-6-4-13/h7,10H,3-6,8H2,1-2H3,(H,12,16)
InChIKeyWJDVYZPRNUJIMI-UHFFFAOYSA-N
XLogP1.75
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.75
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

4-methyl-3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione
CID 81335287
6-iodo-3-(1-morpholin-4-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 66080114
1-ethyl-3-methyl-6-(1-morpholin-4-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79283129
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
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4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117188539
3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83249417
trimethyl-(2-methyl-3-morpholin-4-ylpropyl)silane
CID 10488877
2-methyl-3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83249615
butane;4-(2-methylpropyl)morpholine
CID 155751822
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine
CID 114719163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione (CID 81335774) is 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1C(C)CN1CCOCC1.
What is the InChIKey of 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione?
The InChIKey is WJDVYZPRNUJIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9-7-12-11(16)14(9)10(2)8-13-3-5-15-6-4-13/h7,10H,3-6,8H2,1-2H3,(H,12,16).
What are the key properties of 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione?
4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione has a molecular weight of 241.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).