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

C20H26N4OS — CID 133182058

IUPAC5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CC1
InChIInChI=1S/C20H26N4OS/c1-13-12-16(14(2)24(13)15-7-8-15)19-18(17-6-3-4-9-21-17)22-20(26)23(19)10-5-11-25/h3-4,6,9,12,15,18-19,25H,5,7-8,10-11H2,1-2H3,(H,22,26)
InChIKeyRYPGEPFTLMGXNQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.19
Rot. Bonds6

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

5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182058) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133182058
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CC1
InChIInChI=1S/C20H26N4OS/c1-13-12-16(14(2)24(13)15-7-8-15)19-18(17-6-3-4-9-21-17)22-20(26)23(19)10-5-11-25/h3-4,6,9,12,15,18-19,25H,5,7-8,10-11H2,1-2H3,(H,22,26)
InChIKeyRYPGEPFTLMGXNQ-UHFFFAOYSA-N
XLogP3.19
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182085
5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222568
5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222887
5-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182095
2-[(4S,5S)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100656636
5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182056
5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222064
3-[(4R,5S)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-ethylphenyl)propanamide
CID 100672940
3-[5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-ethylphenyl)propanamide
CID 133218354
3-[(4R,5R)-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 100702981
(4S,5R)-1-cyclopentyl-5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100523215
5-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182109

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182058) is 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(C2C(c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CC1.
What is the InChIKey of 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is RYPGEPFTLMGXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-13-12-16(14(2)24(13)15-7-8-15)19-18(17-6-3-4-9-21-17)22-20(26)23(19)10-5-11-25/h3-4,6,9,12,15,18-19,25H,5,7-8,10-11H2,1-2H3,(H,22,26).
What are the key properties of 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 370.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).