(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

C27H32N4O2S — CID 26279744

About (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 26279744) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• PubChem CID: 26279744
• Molecular Formula: C27H32N4O2S
• Molecular Weight: 476.65 g/mol
• Exact Mass: 476.22
• IUPAC Name: (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• SMILES: CC[C@]1(C2CCN(Cc3cccc4ccccc34)CC2)NC(=O)N(CCc2scnc2C)C1=O
• InChI: InChI=1S/C27H32N4O2S/c1-3-27(25(32)31(26(33)29-27)16-13-24-19(2)28-18-34-24)22-11-14-30(15-12-22)17-21-9-6-8-20-7-4-5-10-23(20)21/h4-10,18,22H,3,11-17H2,1-2H3,(H,29,33)/t27-/m1/s1
• InChIKey: CMAMAPIOOAJBIA-HHHXNRCGSA-N
• XLogP: 4.76
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.65
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 26279744) is (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is CC[C@]1(C2CCN(Cc3cccc4ccccc34)CC2)NC(=O)N(CCc2scnc2C)C1=O.

What is the InChIKey of (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?

The InChIKey is CMAMAPIOOAJBIA-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-3-27(25(32)31(26(33)29-27)16-13-24-19(2)28-18-34-24)22-11-14-30(15-12-22)17-21-9-6-8-20-7-4-5-10-23(20)21/h4-10,18,22H,3,11-17H2,1-2H3,(H,29,33)/t27-/m1/s1.

What are the key properties of (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?

(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 476.65 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 26279744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).