3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione

C9H11N3OS — CID 106374484

IUPAC3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione
SMILESCCc1cnc(Cn2cc[nH]c2=S)o1
InChIInChI=1S/C9H11N3OS/c1-2-7-5-11-8(13-7)6-12-4-3-10-9(12)14/h3-5H,2,6H2,1H3,(H,10,14)
InChIKeyAUFJLODYKQPWBE-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.14
Rot. Bonds3

About 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione

3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione (PubChem CID 106374484) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione
PubChem CID106374484
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione
SMILESCCc1cnc(Cn2cc[nH]c2=S)o1
InChIInChI=1S/C9H11N3OS/c1-2-7-5-11-8(13-7)6-12-4-3-10-9(12)14/h3-5H,2,6H2,1H3,(H,10,14)
InChIKeyAUFJLODYKQPWBE-UHFFFAOYSA-N
XLogP2.14
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-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

1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377508
(1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377515
2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377472
3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoro-1H-benzimidazole-2-thione
CID 106374675
2-(5-ethyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 66588553
3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 84653363
5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377497
5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
CID 118606358
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 114180990
3-butyl-1H-imidazole-2-thione
CID 3034213
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione (CID 106374484) is 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione is CCc1cnc(Cn2cc[nH]c2=S)o1.
What is the InChIKey of 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is AUFJLODYKQPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-2-7-5-11-8(13-7)6-12-4-3-10-9(12)14/h3-5H,2,6H2,1H3,(H,10,14).
What are the key properties of 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione?
3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 209.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 106374484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).