5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole

C10H17N3S — CID 114720540

IUPAC5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole
SMILESCSCCCn1cncc1C1CNC1
InChIInChI=1S/C10H17N3S/c1-14-4-2-3-13-8-12-7-10(13)9-5-11-6-9/h7-9,11H,2-6H2,1H3
InChIKeyQTKOEXDJKPSRDW-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.32
Rot. Bonds5

About 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole

5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole (PubChem CID 114720540) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole
PubChem CID114720540
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole
SMILESCSCCCn1cncc1C1CNC1
InChIInChI=1S/C10H17N3S/c1-14-4-2-3-13-8-12-7-10(13)9-5-11-6-9/h7-9,11H,2-6H2,1H3
InChIKeyQTKOEXDJKPSRDW-UHFFFAOYSA-N
XLogP1.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(azetidin-3-yl)-1-pentylimidazole
CID 114716245
5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
CID 114721945
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide
CID 114721917
2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide
CID 114717394
3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine
CID 106009447
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
5-(azetidin-3-yl)-1-octan-4-ylimidazole
CID 106022193
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole (CID 114720540) is 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole is CSCCCn1cncc1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole?
The InChIKey is QTKOEXDJKPSRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-14-4-2-3-13-8-12-7-10(13)9-5-11-6-9/h7-9,11H,2-6H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole?
5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole has a molecular weight of 211.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole is sourced from PubChem (CID 114720540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).