5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione

C24H25N5O3S2 — CID 45172801

About 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione

5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 45172801) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
• PubChem CID: 45172801
• Molecular Formula: C24H25N5O3S2
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.14
• IUPAC Name: 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
• SMILES: O=C(Cc1cscn1)N1CCC(C2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1
• InChI: InChI=1S/C24H25N5O3S2/c30-21(13-19-15-33-16-26-19)28-9-5-17(6-10-28)24(18-3-1-8-25-14-18)22(31)29(23(32)27-24)11-7-20-4-2-12-34-20/h1-4,8,12,14-17H,5-7,9-11,13H2,(H,27,32)
• InChIKey: ZAZWKPVYCJWAAZ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	3.07
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 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?

The IUPAC name of 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (CID 45172801) is 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is O=C(Cc1cscn1)N1CCC(C2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1.

What is the InChIKey of 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?

The InChIKey is ZAZWKPVYCJWAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c30-21(13-19-15-33-16-26-19)28-9-5-17(6-10-28)24(18-3-1-8-25-14-18)22(31)29(23(32)27-24)11-7-20-4-2-12-34-20/h1-4,8,12,14-17H,5-7,9-11,13H2,(H,27,32).

What are the key properties of 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?

5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 495.63 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45172801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).