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

C14H16N4S — CID 133221413

IUPAC1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
SMILESCCN1C(=S)NC(c2ccccn2)C1c1ccc[nH]1
InChIInChI=1S/C14H16N4S/c1-2-18-13(11-7-5-9-16-11)12(17-14(18)19)10-6-3-4-8-15-10/h3-9,12-13,16H,2H2,1H3,(H,17,19)
InChIKeyVRSHDLCPJLGDJH-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.40
Rot. Bonds3

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

1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione (PubChem CID 133221413) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
PubChem CID133221413
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
SMILESCCN1C(=S)NC(c2ccccn2)C1c1ccc[nH]1
InChIInChI=1S/C14H16N4S/c1-2-18-13(11-7-5-9-16-11)12(17-14(18)19)10-6-3-4-8-15-10/h3-9,12-13,16H,2H2,1H3,(H,17,19)
InChIKeyVRSHDLCPJLGDJH-UHFFFAOYSA-N
XLogP2.40
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.40
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-[2-(dimethylamino)ethyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133222748
1-propan-2-yl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133221576
(4S,5S)-1-(3-anilinopropyl)-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100528642
(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100522537
N-(4-methylphenyl)-3-[4-pyridin-2-yl-5-(1H-pyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 133218500
N-(4-methylphenyl)-3-[(4R,5R)-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100680030
5-(5-methyl-1H-pyrrol-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222005
5-(1-cyclopentylpyrrol-3-yl)-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221663
1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133221611
1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133221634
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The IUPAC name of 1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione (CID 133221413) is 1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione.
What is the SMILES notation for 1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The canonical SMILES for 1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione is CCN1C(=S)NC(c2ccccn2)C1c1ccc[nH]1.
What is the InChIKey of 1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
The InChIKey is VRSHDLCPJLGDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-18-13(11-7-5-9-16-11)12(17-14(18)19)10-6-3-4-8-15-10/h3-9,12-13,16H,2H2,1H3,(H,17,19).
What are the key properties of 1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione?
1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione has a molecular weight of 272.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione is sourced from PubChem (CID 133221413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).