5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione

C23H31N5OS — CID 133222887

IUPAC5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1C1CC1
InChIInChI=1S/C23H31N5OS/c1-16-15-19(17(2)28(16)18-6-7-18)22-21(20-5-3-4-8-24-20)25-23(30)27(22)10-9-26-11-13-29-14-12-26/h3-5,8,15,18,21-22H,6-7,9-14H2,1-2H3,(H,25,30)
InChIKeyOEBQLCNMPHWARX-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.14
Rot. Bonds6

About 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222887) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222887
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC Name5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1C1CC1
InChIInChI=1S/C23H31N5OS/c1-16-15-19(17(2)28(16)18-6-7-18)22-21(20-5-3-4-8-24-20)25-23(30)27(22)10-9-26-11-13-29-14-12-26/h3-5,8,15,18,21-22H,6-7,9-14H2,1-2H3,(H,25,30)
InChIKeyOEBQLCNMPHWARX-UHFFFAOYSA-N
XLogP3.14
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182058
5-[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222942
5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223055
5-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222933
5-[2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222877
5-[2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223050
5-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223084
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223116
1-(3-anilinopropyl)-5-[2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133242061
5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222568
5-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223109
5-[2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223049

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133222887) is 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(C2C(c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1C1CC1.
What is the InChIKey of 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is OEBQLCNMPHWARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5OS/c1-16-15-19(17(2)28(16)18-6-7-18)22-21(20-5-3-4-8-24-20)25-23(30)27(22)10-9-26-11-13-29-14-12-26/h3-5,8,15,18,21-22H,6-7,9-14H2,1-2H3,(H,25,30).
What are the key properties of 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 425.60 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).