1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

C20H29N5S — CID 133223405

IUPAC1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2CCN(C)C)c1C
InChIInChI=1S/C20H29N5S/c1-6-24-14(2)13-16(15(24)3)19-18(17-9-7-8-10-21-17)22-20(26)25(19)12-11-23(4)5/h7-10,13,18-19H,6,11-12H2,1-5H3,(H,22,26)
InChIKeyQMHSLANSMXULGU-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.05
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223405) has the molecular formula C20H29N5S and a molecular weight of 371.55 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133223405
Molecular FormulaC20H29N5S
Molecular Weight371.55 g/mol
Exact Mass371.21
IUPAC Name1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2CCN(C)C)c1C
InChIInChI=1S/C20H29N5S/c1-6-24-14(2)13-16(15(24)3)19-18(17-9-7-8-10-21-17)22-20(26)25(19)12-11-23(4)5/h7-10,13,18-19H,6,11-12H2,1-5H3,(H,22,26)
InChIKeyQMHSLANSMXULGU-UHFFFAOYSA-N
XLogP3.05
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.05
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-[2-(dimethylamino)ethyl]-5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223412
2-[5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 133208312
1-butyl-5-[2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222200
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183039
5-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221935
1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133222748
1-[3-(dimethylamino)propyl]-5-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223269
1-[3-(dimethylamino)propyl]-5-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223258
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182869
(4R,5S)-1-(4-bromo-3-methylphenyl)-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100505971
5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223375
(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125080286

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133223405) is 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is CCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2CCN(C)C)c1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is QMHSLANSMXULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5S/c1-6-24-14(2)13-16(15(24)3)19-18(17-9-7-8-10-21-17)22-20(26)25(19)12-11-23(4)5/h7-10,13,18-19H,6,11-12H2,1-5H3,(H,22,26).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 371.55 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).