1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C18H25N5S — CID 133223297

IUPAC1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN(C)CCCN1C(=S)NC(c2ccccn2)C1c1cccn1C
InChIInChI=1S/C18H25N5S/c1-21(2)11-7-13-23-17(15-9-6-12-22(15)3)16(20-18(23)24)14-8-4-5-10-19-14/h4-6,8-10,12,16-17H,7,11,13H2,1-3H3,(H,20,24)
InChIKeyBQFKFMJBMDSFNG-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.34
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223297) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133223297
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN(C)CCCN1C(=S)NC(c2ccccn2)C1c1cccn1C
InChIInChI=1S/C18H25N5S/c1-21(2)11-7-13-23-17(15-9-6-12-22(15)3)16(20-18(23)24)14-8-4-5-10-19-14/h4-6,8-10,12,16-17H,7,11,13H2,1-3H3,(H,20,24)
InChIKeyBQFKFMJBMDSFNG-UHFFFAOYSA-N
XLogP2.34
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.34
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

(4S,5S)-1-[3-(dimethylamino)propyl]-5-[1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125079731
1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223460
5-(1-methylpyrrol-2-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222961
3-[2-[3-[3-(dimethylamino)propyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]pyrrol-1-yl]benzoic acid
CID 133223315
1-[2-(dimethylamino)ethyl]-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223389
3-[(4R,5S)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100668805
(4R,5S)-5-(1-methylpyrrol-2-yl)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125077155
5-[1-(3-chloro-4-fluorophenyl)pyrrol-2-yl]-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223388
1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156539
N-(2-methylphenyl)-3-[5-(1-methylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 133209676
1-[2-(dimethylamino)ethyl]-5-[1-(oxolan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223398
1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133222748

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133223297) is 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is CN(C)CCCN1C(=S)NC(c2ccccn2)C1c1cccn1C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is BQFKFMJBMDSFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-21(2)11-7-13-23-17(15-9-6-12-22(15)3)16(20-18(23)24)14-8-4-5-10-19-14/h4-6,8-10,12,16-17H,7,11,13H2,1-3H3,(H,20,24).
What are the key properties of 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 343.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).