5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole

C11H17N3S2 — CID 114722083

IUPAC5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole
SMILESc1ncn(CC2CSCCS2)c1C1CNC1
InChIInChI=1S/C11H17N3S2/c1-2-16-10(7-15-1)6-14-8-13-5-11(14)9-3-12-4-9/h5,8-10,12H,1-4,6-7H2
InChIKeyNLLJEBVAVWSIQX-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.42
Rot. Bonds3

About 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole

5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole (PubChem CID 114722083) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole
PubChem CID114722083
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole
SMILESc1ncn(CC2CSCCS2)c1C1CNC1
InChIInChI=1S/C11H17N3S2/c1-2-16-10(7-15-1)6-14-8-13-5-11(14)9-3-12-4-9/h5,8-10,12H,1-4,6-7H2
InChIKeyNLLJEBVAVWSIQX-UHFFFAOYSA-N
XLogP1.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole 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

4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114722084
5-(azetidin-3-yl)-1-pentylimidazole
CID 114716245
2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide
CID 114717394
5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
CID 114721945
2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine
CID 114721231
5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole
CID 114720540
5-(azetidin-3-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole
CID 114719988
1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106580102
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine
CID 114704448
5-(azetidin-3-yl)-1-hexan-3-ylimidazole
CID 114719856
3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide
CID 114721917

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole (CID 114722083) is 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole is c1ncn(CC2CSCCS2)c1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole?
The InChIKey is NLLJEBVAVWSIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-2-16-10(7-15-1)6-14-8-13-5-11(14)9-3-12-4-9/h5,8-10,12H,1-4,6-7H2.
What are the key properties of 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole?
5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole has a molecular weight of 255.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-(1,4-dithian-2-ylmethyl)imidazole is sourced from PubChem (CID 114722083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).