(5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

C24H25N5O4S — CID 42367924

About (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

(5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42367924) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
• PubChem CID: 42367924
• Molecular Formula: C24H25N5O4S
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.16
• IUPAC Name: (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
• SMILES: CCc1cc(C(=O)N2CCC([C@@]3(c4cccnc4)NC(=O)N(Cc4ccsc4)C3=O)CC2)no1
• InChI: InChI=1S/C24H25N5O4S/c1-2-19-12-20(27-33-19)21(30)28-9-5-17(6-10-28)24(18-4-3-8-25-13-18)22(31)29(23(32)26-24)14-16-7-11-34-15-16/h3-4,7-8,11-13,15,17H,2,5-6,9-10,14H2,1H3,(H,26,32)/t24-/m0/s1
• InChIKey: KNQPSHHWCUYAKU-DEOSSOPVSA-N
• XLogP: 3.19
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (CID 42367924) is (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is CCc1cc(C(=O)N2CCC([C@@]3(c4cccnc4)NC(=O)N(Cc4ccsc4)C3=O)CC2)no1.

What is the InChIKey of (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

The InChIKey is KNQPSHHWCUYAKU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-2-19-12-20(27-33-19)21(30)28-9-5-17(6-10-28)24(18-4-3-8-25-13-18)22(31)29(23(32)26-24)14-16-7-11-34-15-16/h3-4,7-8,11-13,15,17H,2,5-6,9-10,14H2,1H3,(H,26,32)/t24-/m0/s1.

What are the key properties of (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?

(5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 479.56 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42367924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).