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

C17H19N3O2S — CID 86820063

IUPAC5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1cnc(CCN2C(=O)C(Cc3ccccc3)N(C)C2=O)s1
InChIInChI=1S/C17H19N3O2S/c1-12-11-18-15(23-12)8-9-20-16(21)14(19(2)17(20)22)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3
InChIKeyLDCAAUNCUNPVHU-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.50
Rot. Bonds5

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

5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 86820063) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID86820063
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1cnc(CCN2C(=O)C(Cc3ccccc3)N(C)C2=O)s1
InChIInChI=1S/C17H19N3O2S/c1-12-11-18-15(23-12)8-9-20-16(21)14(19(2)17(20)22)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3
InChIKeyLDCAAUNCUNPVHU-UHFFFAOYSA-N
XLogP2.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione (CID 86820063) is 5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione is Cc1cnc(CCN2C(=O)C(Cc3ccccc3)N(C)C2=O)s1.
What is the InChIKey of 5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is LDCAAUNCUNPVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-11-18-15(23-12)8-9-20-16(21)14(19(2)17(20)22)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3.
What are the key properties of 5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 329.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86820063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).