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

C18H16N4S2 — CID 133181528

IUPAC4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cccs2)N1Cc1ccncc1
InChIInChI=1S/C18H16N4S2/c23-18-21-16(14-4-1-2-8-20-14)17(15-5-3-11-24-15)22(18)12-13-6-9-19-10-7-13/h1-11,16-17H,12H2,(H,21,23)
InChIKeyKVRSAUAFGMNYJC-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.71
Rot. Bonds4

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

4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione (PubChem CID 133181528) has the molecular formula C18H16N4S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione
PubChem CID133181528
Molecular FormulaC18H16N4S2
Molecular Weight352.49 g/mol
Exact Mass352.08
IUPAC Name4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cccs2)N1Cc1ccncc1
InChIInChI=1S/C18H16N4S2/c23-18-21-16(14-4-1-2-8-20-14)17(15-5-3-11-24-15)22(18)12-13-6-9-19-10-7-13/h1-11,16-17H,12H2,(H,21,23)
InChIKeyKVRSAUAFGMNYJC-UHFFFAOYSA-N
XLogP3.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.71
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

1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133181185
1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181019
1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181017
1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133156276
1-(2-hydroxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133182153
(4R,5S)-1-(3-anilinopropyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100528402
methyl 4-(4-pyridin-2-yl-2-sulfanylidene-5-thiophen-2-ylimidazolidin-1-yl)butanoate
CID 133155440
1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133222689
5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione
CID 133181162
1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133155936
5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-1-(pyridin-4-ylmethyl)imidazolidine-2-thione
CID 133181657
N-(2-methylphenyl)-3-[(4R,5R)-4-pyridin-2-yl-2-sulfanylidene-5-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 100720073

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione?
The IUPAC name of 4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione (CID 133181528) is 4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione.
What is the SMILES notation for 4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione?
The canonical SMILES for 4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2cccs2)N1Cc1ccncc1.
What is the InChIKey of 4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione?
The InChIKey is KVRSAUAFGMNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S2/c23-18-21-16(14-4-1-2-8-20-14)17(15-5-3-11-24-15)22(18)12-13-6-9-19-10-7-13/h1-11,16-17H,12H2,(H,21,23).
What are the key properties of 4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione?
4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione has a molecular weight of 352.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133181528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).