(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C19H24N4S — CID 100523581

IUPAC(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)n1C
InChIInChI=1S/C19H24N4S/c1-13-10-11-16(22(13)2)18-17(15-9-5-6-12-20-15)21-19(24)23(18)14-7-3-4-8-14/h5-6,9-12,14,17-18H,3-4,7-8H2,1-2H3,(H,21,24)/t17-,18-/m0/s1
InChIKeyHEJGQMZXKSWCJV-ROUUACIJSA-N
MW340.50 g/mol
LogP3.64
Rot. Bonds3

About (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100523581) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID100523581
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)n1C
InChIInChI=1S/C19H24N4S/c1-13-10-11-16(22(13)2)18-17(15-9-5-6-12-20-15)21-19(24)23(18)14-7-3-4-8-14/h5-6,9-12,14,17-18H,3-4,7-8H2,1-2H3,(H,21,24)/t17-,18-/m0/s1
InChIKeyHEJGQMZXKSWCJV-ROUUACIJSA-N
XLogP3.64
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525958
(4S,5R)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525965
(4S,5S)-1-cyclopentyl-5-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100527860
(4S,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525879
5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133241949
(4R,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525870
(4R,5S)-5-[1-(4-bromophenyl)pyrrol-2-yl]-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100526209
(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 100522604
(4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100523326
(4R,5R)-1-cyclopentyl-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100526016
1-butyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222218
1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222843

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 100523581) is (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)n1C.
What is the InChIKey of (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is HEJGQMZXKSWCJV-ROUUACIJSA-N. The full InChI is InChI=1S/C19H24N4S/c1-13-10-11-16(22(13)2)18-17(15-9-5-6-12-20-15)21-19(24)23(18)14-7-3-4-8-14/h5-6,9-12,14,17-18H,3-4,7-8H2,1-2H3,(H,21,24)/t17-,18-/m0/s1.
What are the key properties of (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
(4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 340.50 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-cyclopentyl-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100523581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).