2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C15H15N3O3S — CID 59481304

IUPAC2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CC(Cc3ccccc3)NC2=O)sc1C(=O)O
InChIInChI=1S/C15H15N3O3S/c1-9-12(13(19)20)22-15(16-9)18-8-11(17-14(18)21)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyHCFPJNCYYMBPBD-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.29
Rot. Bonds4

About 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 59481304) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID59481304
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CC(Cc3ccccc3)NC2=O)sc1C(=O)O
InChIInChI=1S/C15H15N3O3S/c1-9-12(13(19)20)22-15(16-9)18-8-11(17-14(18)21)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyHCFPJNCYYMBPBD-UHFFFAOYSA-N
XLogP2.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 59481304) is 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CC(Cc3ccccc3)NC2=O)sc1C(=O)O.
What is the InChIKey of 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HCFPJNCYYMBPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-12(13(19)20)22-15(16-9)18-8-11(17-14(18)21)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 59481304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).