3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid

C24H23N3O4S — CID 58031535

IUPAC3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
SMILESCc1nc(N2CCN(Cc3cccc(C(=O)O)c3)C2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C24H23N3O4S/c1-16-21(20(28)11-10-17-6-3-2-4-7-17)32-23(25-16)27-13-12-26(24(27)31)15-18-8-5-9-19(14-18)22(29)30/h2-9,14H,10-13,15H2,1H3,(H,29,30)
InChIKeyGALYUXWQOBZQCM-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.41
Rot. Bonds8

About 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid

3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid (PubChem CID 58031535) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
PubChem CID58031535
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
SMILESCc1nc(N2CCN(Cc3cccc(C(=O)O)c3)C2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C24H23N3O4S/c1-16-21(20(28)11-10-17-6-3-2-4-7-17)32-23(25-16)27-13-12-26(24(27)31)15-18-8-5-9-19(14-18)22(29)30/h2-9,14H,10-13,15H2,1H3,(H,29,30)
InChIKeyGALYUXWQOBZQCM-UHFFFAOYSA-N
XLogP4.41
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031607
ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
CID 58031592
1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031680
4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 59481204
1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(3-phenylpropyl)imidazolidin-2-one
CID 58031631
1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051133
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031474
1-[2-(1H-indol-3-yl)ethyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031411
2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58031393
1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051025
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031711
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051134

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid?
The IUPAC name of 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid (CID 58031535) is 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid is Cc1nc(N2CCN(Cc3cccc(C(=O)O)c3)C2=O)sc1C(=O)CCc1ccccc1.
What is the InChIKey of 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid?
The InChIKey is GALYUXWQOBZQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16-21(20(28)11-10-17-6-3-2-4-7-17)32-23(25-16)27-13-12-26(24(27)31)15-18-8-5-9-19(14-18)22(29)30/h2-9,14H,10-13,15H2,1H3,(H,29,30).
What are the key properties of 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid?
3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid has a molecular weight of 449.53 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 58031535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).