(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione

C26H32N4S — CID 125078924

About (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione

(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (PubChem CID 125078924) has the molecular formula C26H32N4S and a molecular weight of 432.64 g/mol. Its IUPAC name is (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

Molecular Properties

• Compound Name: (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
• PubChem CID: 125078924
• Molecular Formula: C26H32N4S
• Molecular Weight: 432.64 g/mol
• Exact Mass: 432.23
• IUPAC Name: (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
• SMILES: CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21
• InChI: InChI=1S/C26H32N4S/c1-17-16-26(2,3)29(4)22-13-12-18(15-20(17)22)24-23(21-11-7-8-14-27-21)28-25(31)30(24)19-9-5-6-10-19/h7-8,11-16,19,23-24H,5-6,9-10H2,1-4H3,(H,28,31)/t23-,24+/m1/s1
• InChIKey: JWLZFVIWOXUKMZ-RPWUZVMVSA-N
• XLogP: 5.63
• TPSA: 31.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.64
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?

The IUPAC name of (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (CID 125078924) is (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

What is the SMILES notation for (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?

The canonical SMILES for (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21.

What is the InChIKey of (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?

The InChIKey is JWLZFVIWOXUKMZ-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H32N4S/c1-17-16-26(2,3)29(4)22-13-12-18(15-20(17)22)24-23(21-11-7-8-14-27-21)28-25(31)30(24)19-9-5-6-10-19/h7-8,11-16,19,23-24H,5-6,9-10H2,1-4H3,(H,28,31)/t23-,24+/m1/s1.

What are the key properties of (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?

(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione has a molecular weight of 432.64 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is sourced from PubChem (CID 125078924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).