1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione

C16H21N5S — CID 133222748

IUPAC1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
SMILESCN(C)CCN1C(=S)NC(c2ccccn2)C1c1ccc[nH]1
InChIInChI=1S/C16H21N5S/c1-20(2)10-11-21-15(13-7-5-9-18-13)14(19-16(21)22)12-6-3-4-8-17-12/h3-9,14-15,18H,10-11H2,1-2H3,(H,19,22)
InChIKeyIRIOAENNHLUQDV-UHFFFAOYSA-N
MW315.45 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione

1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione (PubChem CID 133222748) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
PubChem CID133222748
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
SMILESCN(C)CCN1C(=S)NC(c2ccccn2)C1c1ccc[nH]1
InChIInChI=1S/C16H21N5S/c1-20(2)10-11-21-15(13-7-5-9-18-13)14(19-16(21)22)12-6-3-4-8-17-12/h3-9,14-15,18H,10-11H2,1-2H3,(H,19,22)
InChIKeyIRIOAENNHLUQDV-UHFFFAOYSA-N
XLogP1.94
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133221413
(4S,5S)-1-(3-anilinopropyl)-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100528642
1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223460
1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223405
N-(4-methylphenyl)-3-[4-pyridin-2-yl-5-(1H-pyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 133218500
N-(4-methylphenyl)-3-[(4R,5R)-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100680030
1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133221576
1-[2-(dimethylamino)ethyl]-5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223412
1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223488
(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100522537
1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223297
5-(5-methyl-1H-pyrrol-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222005

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione (CID 133222748) is 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione is CN(C)CCN1C(=S)NC(c2ccccn2)C1c1ccc[nH]1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The InChIKey is IRIOAENNHLUQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-20(2)10-11-21-15(13-7-5-9-18-13)14(19-16(21)22)12-6-3-4-8-17-12/h3-9,14-15,18H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione has a molecular weight of 315.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione is sourced from PubChem (CID 133222748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).