5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione

C19H18N4OS — CID 133181700

IUPAC5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2Cc2ccccn2)o1
InChIInChI=1S/C19H18N4OS/c1-13-8-9-16(24-13)18-17(15-7-3-5-11-21-15)22-19(25)23(18)12-14-6-2-4-10-20-14/h2-11,17-18H,12H2,1H3,(H,22,25)
InChIKeyJOSAHXPDEJZTME-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.55
Rot. Bonds4

About 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione

5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione (PubChem CID 133181700) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
PubChem CID133181700
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2Cc2ccccn2)o1
InChIInChI=1S/C19H18N4OS/c1-13-8-9-16(24-13)18-17(15-7-3-5-11-21-15)22-19(25)23(18)12-14-6-2-4-10-20-14/h2-11,17-18H,12H2,1H3,(H,22,25)
InChIKeyJOSAHXPDEJZTME-UHFFFAOYSA-N
XLogP3.55
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.55
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

5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221853
2-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100655295
methyl 3-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanoate
CID 133155599
methyl 2-[5-[5-pyridin-2-yl-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoate
CID 133181867
5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181841
5-(1-methylpyrrol-3-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181848
5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181723
5-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181781
3-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 133197692
3-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(3-methylphenyl)propanamide
CID 133209126
5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181646
N-(2,5-dimethylphenyl)-3-[(4R,5R)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100701951

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione?
The IUPAC name of 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione (CID 133181700) is 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione?
The canonical SMILES for 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione is Cc1ccc(C2C(c3ccccn3)NC(=S)N2Cc2ccccn2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione?
The InChIKey is JOSAHXPDEJZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-13-8-9-16(24-13)18-17(15-7-3-5-11-21-15)22-19(25)23(18)12-14-6-2-4-10-20-14/h2-11,17-18H,12H2,1H3,(H,22,25).
What are the key properties of 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione?
5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione has a molecular weight of 350.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione is sourced from PubChem (CID 133181700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).