1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C19H27N5S — CID 133223460

IUPAC1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC(C)n1cccc1C1C(c2ccccn2)NC(=S)N1CCN(C)C
InChIInChI=1S/C19H27N5S/c1-14(2)23-11-7-9-16(23)18-17(15-8-5-6-10-20-15)21-19(25)24(18)13-12-22(3)4/h5-11,14,17-18H,12-13H2,1-4H3,(H,21,25)
InChIKeyPWQZRYPFCRZZQP-UHFFFAOYSA-N
MW357.53 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223460) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133223460
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC Name1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC(C)n1cccc1C1C(c2ccccn2)NC(=S)N1CCN(C)C
InChIInChI=1S/C19H27N5S/c1-14(2)23-11-7-9-16(23)18-17(15-8-5-6-10-20-15)21-19(25)24(18)13-12-22(3)4/h5-11,14,17-18H,12-13H2,1-4H3,(H,21,25)
InChIKeyPWQZRYPFCRZZQP-UHFFFAOYSA-N
XLogP3.00
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.00
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-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223297
1-[2-(dimethylamino)ethyl]-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223389
N-(4-methylphenyl)-3-[(4S,5S)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100683988
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
N-(2-methoxyphenyl)-3-[(4S,5S)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100717448
1-(4-methylphenyl)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157893
5-[1-(3-chloro-4-fluorophenyl)pyrrol-2-yl]-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223388
1-(4-ethylphenyl)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158633
(4R,5S)-1-(4-propan-2-yloxyphenyl)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100600598
1-[2-(dimethylamino)ethyl]-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223405
(4S,5S)-1-[3-(dimethylamino)propyl]-5-[1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125079731

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133223460) is 1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is CC(C)n1cccc1C1C(c2ccccn2)NC(=S)N1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is PWQZRYPFCRZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S/c1-14(2)23-11-7-9-16(23)18-17(15-8-5-6-10-20-15)21-19(25)24(18)13-12-22(3)4/h5-11,14,17-18H,12-13H2,1-4H3,(H,21,25).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-[2-(dimethylamino)ethyl]-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 357.53 g/mol, XLogP of 3.00, 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-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).