5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione

C13H12BrN3S2 — CID 133221350

IUPAC5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN1C(=S)NC(c2ccccn2)C1c1cc(Br)cs1
InChIInChI=1S/C13H12BrN3S2/c1-17-12(10-6-8(14)7-19-10)11(16-13(17)18)9-4-2-3-5-15-9/h2-7,11-12H,1H3,(H,16,18)
InChIKeyWYZVUQNOGLNBEI-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.51
Rot. Bonds2

About 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione

5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221350) has the molecular formula C13H12BrN3S2 and a molecular weight of 354.30 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221350
Molecular FormulaC13H12BrN3S2
Molecular Weight354.30 g/mol
Exact Mass352.97
IUPAC Name5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN1C(=S)NC(c2ccccn2)C1c1cc(Br)cs1
InChIInChI=1S/C13H12BrN3S2/c1-17-12(10-6-8(14)7-19-10)11(16-13(17)18)9-4-2-3-5-15-9/h2-7,11-12H,1H3,(H,16,18)
InChIKeyWYZVUQNOGLNBEI-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.51
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

5-(4-bromothiophen-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221859
5-(4-bromothiophen-2-yl)-1-butyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222187
(4S,5S)-5-(4-bromothiophen-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100522485
(4R,5R)-5-(4-bromothiophen-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100522494
5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181646
1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181019
5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183330
(4S,5S)-5-(4-bromothiophen-2-yl)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125076560
3-[5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-methylphenyl)propanamide
CID 133209572
3-[5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-methylphenyl)propanamide
CID 133218499
3-[(4R,5R)-5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(3-methylphenyl)propanamide
CID 100708319
3-[(4S,5R)-5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(3-methylphenyl)propanamide
CID 100708326

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133221350) is 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione is CN1C(=S)NC(c2ccccn2)C1c1cc(Br)cs1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is WYZVUQNOGLNBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3S2/c1-17-12(10-6-8(14)7-19-10)11(16-13(17)18)9-4-2-3-5-15-9/h2-7,11-12H,1H3,(H,16,18).
What are the key properties of 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione?
5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 354.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).