5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione

C9H16N2OS — CID 137382716

IUPAC5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione
SMILESCCOCc1cn(C(C)C)c(=S)[nH]1
InChIInChI=1S/C9H16N2OS/c1-4-12-6-8-5-11(7(2)3)9(13)10-8/h5,7H,4,6H2,1-3H3,(H,10,13)
InChIKeyFZMVCFIUYNUWGZ-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.66
Rot. Bonds4

About 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione

5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione (PubChem CID 137382716) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione
PubChem CID137382716
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione
SMILESCCOCc1cn(C(C)C)c(=S)[nH]1
InChIInChI=1S/C9H16N2OS/c1-4-12-6-8-5-11(7(2)3)9(13)10-8/h5,7H,4,6H2,1-3H3,(H,10,13)
InChIKeyFZMVCFIUYNUWGZ-UHFFFAOYSA-N
XLogP2.66
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 81336096
3-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1H-imidazole-2-thione
CID 105905342
3-amino-5-(ethoxymethyl)-1H-imidazole-2-thione
CID 57905948
4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione
CID 144680428
4-(Ethoxymethyl)-1,3-dihydroimidazole-2-thione
CID 151916777
3-(2-butoxyethyl)-4-methyl-1H-imidazole-2-thione
CID 81334724
3-(1-methoxybutan-2-yl)-4-methyl-1H-imidazole-2-thione
CID 81334751
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methyl-1H-imidazole-2-thione
CID 81334797
3-(1-ethoxypropan-2-yl)-4-methyl-1H-imidazole-2-thione
CID 81334841
3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione
CID 81334842
3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazole-2-thione
CID 81334895
5-methyl-3-[2-(3-methylbutoxy)ethyl]-1H-imidazole-2-thione
CID 81334913

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione (CID 137382716) is 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione is CCOCc1cn(C(C)C)c(=S)[nH]1.
What is the InChIKey of 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is FZMVCFIUYNUWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-12-6-8-5-11(7(2)3)9(13)10-8/h5,7H,4,6H2,1-3H3,(H,10,13).
What are the key properties of 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione?
5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 200.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 137382716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).