1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione

C15H18N4S — CID 133221576

IUPAC1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
SMILESCC(C)N1C(=S)NC(c2ccccn2)C1c1ccc[nH]1
InChIInChI=1S/C15H18N4S/c1-10(2)19-14(12-7-5-9-17-12)13(18-15(19)20)11-6-3-4-8-16-11/h3-10,13-14,17H,1-2H3,(H,18,20)
InChIKeyUHAGFGMTMIXMFL-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.79
Rot. Bonds3

About 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione

1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione (PubChem CID 133221576) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
PubChem CID133221576
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
SMILESCC(C)N1C(=S)NC(c2ccccn2)C1c1ccc[nH]1
InChIInChI=1S/C15H18N4S/c1-10(2)19-14(12-7-5-9-17-12)13(18-15(19)20)11-6-3-4-8-16-11/h3-10,13-14,17H,1-2H3,(H,18,20)
InChIKeyUHAGFGMTMIXMFL-UHFFFAOYSA-N
XLogP2.79
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133221413
(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100522537
1-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133222748
5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221834
1-[4-(4-methylphenoxy)phenyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133183674
N-[4-[4-pyridin-2-yl-5-(1H-pyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 133243293
5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221741
5-[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221765
5-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221736
(4S,5S)-1-(3-anilinopropyl)-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100528642
N-(4-methylphenyl)-3-[(4R,5R)-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100680030
N-(4-methylphenyl)-3-[4-pyridin-2-yl-5-(1H-pyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 133218500

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The IUPAC name of 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione (CID 133221576) is 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione.
What is the SMILES notation for 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The canonical SMILES for 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione is CC(C)N1C(=S)NC(c2ccccn2)C1c1ccc[nH]1.
What is the InChIKey of 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The InChIKey is UHAGFGMTMIXMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10(2)19-14(12-7-5-9-17-12)13(18-15(19)20)11-6-3-4-8-16-11/h3-10,13-14,17H,1-2H3,(H,18,20).
What are the key properties of 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione has a molecular weight of 286.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione is sourced from PubChem (CID 133221576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).