5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

C16H24N4O2S — CID 56723496

IUPAC5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCCc1nc(CN2C(=O)NC(CC)(C3CCNCC3)C2=O)cs1
InChIInChI=1S/C16H24N4O2S/c1-3-13-18-12(10-23-13)9-20-14(21)16(4-2,19-15(20)22)11-5-7-17-8-6-11/h10-11,17H,3-9H2,1-2H3,(H,19,22)
InChIKeyUNNBZCULVODPOL-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.91
Rot. Bonds5

About 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 56723496) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID56723496
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCCc1nc(CN2C(=O)NC(CC)(C3CCNCC3)C2=O)cs1
InChIInChI=1S/C16H24N4O2S/c1-3-13-18-12(10-23-13)9-20-14(21)16(4-2,19-15(20)22)11-5-7-17-8-6-11/h10-11,17H,3-9H2,1-2H3,(H,19,22)
InChIKeyUNNBZCULVODPOL-UHFFFAOYSA-N
XLogP1.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (CID 56723496) is 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is CCc1nc(CN2C(=O)NC(CC)(C3CCNCC3)C2=O)cs1.
What is the InChIKey of 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is UNNBZCULVODPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-3-13-18-12(10-23-13)9-20-14(21)16(4-2,19-15(20)22)11-5-7-17-8-6-11/h10-11,17H,3-9H2,1-2H3,(H,19,22).
What are the key properties of 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 336.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 56723496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).