5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C24H25N7S — CID 133158559

IUPAC5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-n3cnnc3)c2C)cc1
InChIInChI=1S/C24H25N7S/c1-4-18-8-10-19(11-9-18)30-23(22(28-24(30)32)21-7-5-6-12-25-21)20-13-16(2)31(17(20)3)29-14-26-27-15-29/h5-15,22-23H,4H2,1-3H3,(H,28,32)
InChIKeyGFNHOSDYHKXAOH-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.14
Rot. Bonds5

About 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133158559) has the molecular formula C24H25N7S and a molecular weight of 443.58 g/mol. Its IUPAC name is 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133158559
Molecular FormulaC24H25N7S
Molecular Weight443.58 g/mol
Exact Mass443.19
IUPAC Name5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-n3cnnc3)c2C)cc1
InChIInChI=1S/C24H25N7S/c1-4-18-8-10-19(11-9-18)30-23(22(28-24(30)32)21-7-5-6-12-25-21)20-13-16(2)31(17(20)3)29-14-26-27-15-29/h5-15,22-23H,4H2,1-3H3,(H,28,32)
InChIKeyGFNHOSDYHKXAOH-UHFFFAOYSA-N
XLogP4.14
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182681
5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157855
1-(3-chloro-4-methoxyphenyl)-5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224456
5-[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158630
N-[4-[(4R,5S)-5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-phenoxyacetamide
CID 100535459
5-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158611
N-[5-[(4R,5R)-5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]methanesulfonamide
CID 100647060
5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158569
3-[3-[3-(4-ethylphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]-2,5-dimethylpyrrol-1-yl]-4-methylbenzoic acid
CID 133158625
5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157847
N-[4-[(4S,5S)-5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]methanesulfonamide
CID 100627202
1-(4-ethoxyphenyl)-5-[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156164

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133158559) is 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is CCc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-n3cnnc3)c2C)cc1.
What is the InChIKey of 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is GFNHOSDYHKXAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7S/c1-4-18-8-10-19(11-9-18)30-23(22(28-24(30)32)21-7-5-6-12-25-21)20-13-16(2)31(17(20)3)29-14-26-27-15-29/h5-15,22-23H,4H2,1-3H3,(H,28,32).
What are the key properties of 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 443.58 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133158559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).