5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C19H15BrFN3S2 — CID 133183330

IUPAC5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(N2C(=S)NC(c3ccccn3)C2c2cc(Br)cs2)ccc1F
InChIInChI=1S/C19H15BrFN3S2/c1-11-8-13(5-6-14(11)21)24-18(16-9-12(20)10-26-16)17(23-19(24)25)15-4-2-3-7-22-15/h2-10,17-18H,1H3,(H,23,25)
InChIKeyALQDPUBNKRYHTN-UHFFFAOYSA-N
MW448.39 g/mol
LogP5.53
Rot. Bonds3

About 5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183330) has the molecular formula C19H15BrFN3S2 and a molecular weight of 448.39 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133183330
Molecular FormulaC19H15BrFN3S2
Molecular Weight448.39 g/mol
Exact Mass446.99
IUPAC Name5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(N2C(=S)NC(c3ccccn3)C2c2cc(Br)cs2)ccc1F
InChIInChI=1S/C19H15BrFN3S2/c1-11-8-13(5-6-14(11)21)24-18(16-9-12(20)10-26-16)17(23-19(24)25)15-4-2-3-7-22-15/h2-10,17-18H,1H3,(H,23,25)
InChIKeyALQDPUBNKRYHTN-UHFFFAOYSA-N
XLogP5.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.39
LogP ≤ 55.53
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

N-[4-[(4R,5S)-5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]methanesulfonamide
CID 100635467
(4S,5R)-1-(4-fluoro-3-methylphenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100503713
(4S,5S)-1-(4-bromo-3-methylphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100504361
(4R,5R)-5-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100502770
(4S,5S)-5-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100502790
5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221350
1-(4-fluoro-3-methylphenyl)-5-(1-methylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224227
(4R,5R)-5-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100500587
(4S,5S)-5-(4-bromothiophen-2-yl)-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100516497
N-[4-[(4S,5R)-5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-chlorophenyl]-2-methylpropanamide
CID 100547401
1-(4-fluoro-3-methylphenyl)-5-(1-phenylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224248
(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100501707

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133183330) is 5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(N2C(=S)NC(c3ccccn3)C2c2cc(Br)cs2)ccc1F.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is ALQDPUBNKRYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3S2/c1-11-8-13(5-6-14(11)21)24-18(16-9-12(20)10-26-16)17(23-19(24)25)15-4-2-3-7-22-15/h2-10,17-18H,1H3,(H,23,25).
What are the key properties of 5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 448.39 g/mol, XLogP of 5.53, 3 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-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).