5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione

C25H20N4O3S2 — CID 133183938

IUPAC5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1
InChIInChI=1S/C25H20N4O3S2/c1-16-5-14-22(32-16)24-23(21-4-2-3-15-26-21)27-25(33)28(24)17-6-10-19(11-7-17)34-20-12-8-18(9-13-20)29(30)31/h2-15,23-24H,1H3,(H,27,33)
InChIKeyFFSJDUMJACTHHH-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.22
Rot. Bonds6

About 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione

5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183938) has the molecular formula C25H20N4O3S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133183938
Molecular FormulaC25H20N4O3S2
Molecular Weight488.59 g/mol
Exact Mass488.10
IUPAC Name5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1
InChIInChI=1S/C25H20N4O3S2/c1-16-5-14-22(32-16)24-23(21-4-2-3-15-26-21)27-25(33)28(24)17-6-10-19(11-7-17)34-20-12-8-18(9-13-20)29(30)31/h2-15,23-24H,1H3,(H,27,33)
InChIKeyFFSJDUMJACTHHH-UHFFFAOYSA-N
XLogP6.22
TPSA84.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(5-methylthiophen-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133184014
5-(2,5-dimethyl-1H-pyrrol-3-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133184023
4-chloro-3-[5-[3-[4-(4-nitrophenyl)sulfanylphenyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 133178120
5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133178086
N-[4-[5-[5-(4-nitrophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 133156947
5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133184043
(4S,5S)-5-(5-phenylsulfanylfuran-2-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100601696
3-[2,5-dimethyl-3-[3-[4-(4-nitrophenyl)sulfanylphenyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]pyrrol-1-yl]benzoic acid
CID 133178045
1-(4-fluorophenyl)-5-[5-(3-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182323
(4R,5S)-1-(4-bromo-3-methylphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100505890
1-(4-chlorophenyl)-5-[5-(3-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182648
(4S,5R)-1-(4-cyclopentyloxyphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100608720

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133183938) is 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is FFSJDUMJACTHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S2/c1-16-5-14-22(32-16)24-23(21-4-2-3-15-26-21)27-25(33)28(24)17-6-10-19(11-7-17)34-20-12-8-18(9-13-20)29(30)31/h2-15,23-24H,1H3,(H,27,33).
What are the key properties of 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione?
5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 488.59 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).