2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C17H25N5O4S — CID 119103233

IUPAC2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCN1C(=O)CN(C2CCN(CC(=O)Nc3nc(C)cs3)CC2)C1=O
InChIInChI=1S/C17H25N5O4S/c1-12-11-27-16(18-12)19-14(23)9-20-5-3-13(4-6-20)22-10-15(24)21(17(22)25)7-8-26-2/h11,13H,3-10H2,1-2H3,(H,18,19,23)
InChIKeyMZALEZOAVMNSNA-UHFFFAOYSA-N
MW395.49 g/mol
LogP0.77
Rot. Bonds7

About 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 119103233) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID119103233
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCN1C(=O)CN(C2CCN(CC(=O)Nc3nc(C)cs3)CC2)C1=O
InChIInChI=1S/C17H25N5O4S/c1-12-11-27-16(18-12)19-14(23)9-20-5-3-13(4-6-20)22-10-15(24)21(17(22)25)7-8-26-2/h11,13H,3-10H2,1-2H3,(H,18,19,23)
InChIKeyMZALEZOAVMNSNA-UHFFFAOYSA-N
XLogP0.77
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 119103233) is 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COCCN1C(=O)CN(C2CCN(CC(=O)Nc3nc(C)cs3)CC2)C1=O.
What is the InChIKey of 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MZALEZOAVMNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-12-11-27-16(18-12)19-14(23)9-20-5-3-13(4-6-20)22-10-15(24)21(17(22)25)7-8-26-2/h11,13H,3-10H2,1-2H3,(H,18,19,23).
What are the key properties of 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 395.49 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 119103233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).