3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione

C15H15N3O2S — CID 138998483

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1nc(N2C(=O)NC(C)(c3ccccc3)C2=O)sc1C
InChIInChI=1S/C15H15N3O2S/c1-9-10(2)21-14(16-9)18-12(19)15(3,17-13(18)20)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,17,20)
InChIKeyMLXASXDQZDGNTA-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.73
Rot. Bonds2

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione

3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 138998483) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID138998483
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1nc(N2C(=O)NC(C)(c3ccccc3)C2=O)sc1C
InChIInChI=1S/C15H15N3O2S/c1-9-10(2)21-14(16-9)18-12(19)15(3,17-13(18)20)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,17,20)
InChIKeyMLXASXDQZDGNTA-UHFFFAOYSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
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 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione (CID 138998483) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione is Cc1nc(N2C(=O)NC(C)(c3ccccc3)C2=O)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is MLXASXDQZDGNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-10(2)21-14(16-9)18-12(19)15(3,17-13(18)20)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,17,20).
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 301.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 138998483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).