5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione

C18H18N4OS — CID 133221377

IUPAC5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN1C(=S)NC(c2ccccn2)C1c1cccn1Cc1ccco1
InChIInChI=1S/C18H18N4OS/c1-21-17(16(20-18(21)24)14-7-2-3-9-19-14)15-8-4-10-22(15)12-13-6-5-11-23-13/h2-11,16-17H,12H2,1H3,(H,20,24)
InChIKeyONRNEJGPWHNTIX-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.13
Rot. Bonds4

About 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione

5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221377) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221377
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN1C(=S)NC(c2ccccn2)C1c1cccn1Cc1ccco1
InChIInChI=1S/C18H18N4OS/c1-21-17(16(20-18(21)24)14-7-2-3-9-19-14)15-8-4-10-22(15)12-13-6-5-11-23-13/h2-11,16-17H,12H2,1H3,(H,20,24)
InChIKeyONRNEJGPWHNTIX-UHFFFAOYSA-N
XLogP3.13
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.13
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-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222387
1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222725
(4R,5S)-1-(3-anilinopropyl)-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100529801
N-[4-[(4R,5R)-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100612950
N-(2-ethylphenyl)-3-[(4S,5S)-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100673570
N-(4-fluorophenyl)-3-[5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 133208780
(4R,5R)-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100517673
1-methyl-5-[1-(oxolan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133221376
N-[5-[5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]acetamide
CID 133243818
1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223712
N-[4-[5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methylpropanamide
CID 133157311
1-(furan-2-ylmethyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133223700

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133221377) is 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione is CN1C(=S)NC(c2ccccn2)C1c1cccn1Cc1ccco1.
What is the InChIKey of 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is ONRNEJGPWHNTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-21-17(16(20-18(21)24)14-7-2-3-9-19-14)15-8-4-10-22(15)12-13-6-5-11-23-13/h2-11,16-17H,12H2,1H3,(H,20,24).
What are the key properties of 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 338.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).