1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione

C19H17N3OS2 — CID 133155936

IUPAC1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
SMILESCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccs2)cc1
InChIInChI=1S/C19H17N3OS2/c1-23-14-9-7-13(8-10-14)22-18(16-6-4-12-25-16)17(21-19(22)24)15-5-2-3-11-20-15/h2-12,17-18H,1H3,(H,21,24)
InChIKeyQHIBQOCGSHPOMB-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione

1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione (PubChem CID 133155936) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
PubChem CID133155936
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
SMILESCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccs2)cc1
InChIInChI=1S/C19H17N3OS2/c1-23-14-9-7-13(8-10-14)22-18(16-6-4-12-25-16)17(21-19(22)24)15-5-2-3-11-20-15/h2-12,17-18H,1H3,(H,21,24)
InChIKeyQHIBQOCGSHPOMB-UHFFFAOYSA-N
XLogP4.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100596502
(4R,5R)-1-(4-cyclopentyloxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100603590
(4S,5R)-1-(4-cyclopentyloxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100603602
1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133156276
1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133181185
(4S,5S)-1-(4-bromo-3-methylphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100504361
N-[2-methoxy-5-[(4S,5R)-4-pyridin-2-yl-2-sulfanylidene-5-thiophen-2-ylimidazolidin-1-yl]phenyl]acetamide
CID 100590694
1-(2-hydroxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133182153
5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133155934
2-phenoxy-N-[4-[(4S,5S)-4-pyridin-2-yl-2-sulfanylidene-5-thiophen-2-ylimidazolidin-1-yl]phenyl]acetamide
CID 100534579
2-methoxy-N-[2-methoxy-5-[(4R,5R)-4-pyridin-2-yl-2-sulfanylidene-5-thiophen-2-ylimidazolidin-1-yl]phenyl]acetamide
CID 100584664
(4R,5S)-5-(5-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100596598

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione (CID 133155936) is 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione is COc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
The InChIKey is QHIBQOCGSHPOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-23-14-9-7-13(8-10-14)22-18(16-6-4-12-25-16)17(21-19(22)24)15-5-2-3-11-20-15/h2-12,17-18H,1H3,(H,21,24).
What are the key properties of 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione has a molecular weight of 367.50 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133155936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).