1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione

C18H21N3S2 — CID 133222689

IUPAC1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cccs2)N1C1CCCCC1
InChIInChI=1S/C18H21N3S2/c22-18-20-16(14-9-4-5-11-19-14)17(15-10-6-12-23-15)21(18)13-7-2-1-3-8-13/h4-6,9-13,16-17H,1-3,7-8H2,(H,20,22)
InChIKeyQPEPFGSXJOSASY-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.45
Rot. Bonds3

About 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione

1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione (PubChem CID 133222689) has the molecular formula C18H21N3S2 and a molecular weight of 343.52 g/mol. Its IUPAC name is 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
PubChem CID133222689
Molecular FormulaC18H21N3S2
Molecular Weight343.52 g/mol
Exact Mass343.12
IUPAC Name1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cccs2)N1C1CCCCC1
InChIInChI=1S/C18H21N3S2/c22-18-20-16(14-9-4-5-11-19-14)17(15-10-6-12-23-15)21(18)13-7-2-1-3-8-13/h4-6,9-13,16-17H,1-3,7-8H2,(H,20,22)
InChIKeyQPEPFGSXJOSASY-UHFFFAOYSA-N
XLogP4.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.45
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

(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
(4S,5R)-5-(5-bromothiophen-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100522462
(4S,5R)-1-cyclopentyl-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100522537
(4R,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525870
(4S,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525879
5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133241949
1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222843
(4S,5R)-1-cyclopentyl-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100522235
1-(2-hydroxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133182153
(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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
The IUPAC name of 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione (CID 133222689) is 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2cccs2)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
The InChIKey is QPEPFGSXJOSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S2/c22-18-20-16(14-9-4-5-11-19-14)17(15-10-6-12-23-15)21(18)13-7-2-1-3-8-13/h4-6,9-13,16-17H,1-3,7-8H2,(H,20,22).
What are the key properties of 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione has a molecular weight of 343.52 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).