5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione

C19H18N4S2 — CID 133181162

IUPAC5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2Cc2cccnc2)s1
InChIInChI=1S/C19H18N4S2/c1-13-7-8-16(25-13)18-17(15-6-2-3-10-21-15)22-19(24)23(18)12-14-5-4-9-20-11-14/h2-11,17-18H,12H2,1H3,(H,22,24)
InChIKeyDGTFUGSQDHYLOU-UHFFFAOYSA-N
MW366.52 g/mol
LogP4.02
Rot. Bonds4

About 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione

5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione (PubChem CID 133181162) has the molecular formula C19H18N4S2 and a molecular weight of 366.52 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione
PubChem CID133181162
Molecular FormulaC19H18N4S2
Molecular Weight366.52 g/mol
Exact Mass366.10
IUPAC Name5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2Cc2cccnc2)s1
InChIInChI=1S/C19H18N4S2/c1-13-7-8-16(25-13)18-17(15-6-2-3-10-21-15)22-19(24)23(18)12-14-5-4-9-20-11-14/h2-11,17-18H,12H2,1H3,(H,22,24)
InChIKeyDGTFUGSQDHYLOU-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.52
LogP ≤ 54.02
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

1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181017
5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione
CID 133181410
5-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione
CID 133181407
(4R,5S)-5-(5-methylthiophen-2-yl)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125078458
4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione
CID 133181528
1-butyl-4-pyridin-2-yl-5-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133222217
(4R,5S)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125079407
1-(2-hydroxyethyl)-4-pyridin-2-yl-5-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133181898
1-butyl-5-[2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222200
1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181019
5-[2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221338
N-(4-fluorophenyl)-3-[(4S,5R)-5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100687069

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione?
The IUPAC name of 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione (CID 133181162) is 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione is Cc1ccc(C2C(c3ccccn3)NC(=S)N2Cc2cccnc2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione?
The InChIKey is DGTFUGSQDHYLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S2/c1-13-7-8-16(25-13)18-17(15-6-2-3-10-21-15)22-19(24)23(18)12-14-5-4-9-20-11-14/h2-11,17-18H,12H2,1H3,(H,22,24).
What are the key properties of 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione?
5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione has a molecular weight of 366.52 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione is sourced from PubChem (CID 133181162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).