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

C20H23N3O4S — CID 58031592

IUPACethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2nc(C)c(C(=O)CCc3ccccc3)s2)C1=O
InChIInChI=1S/C20H23N3O4S/c1-3-27-17(25)13-22-11-12-23(20(22)26)19-21-14(2)18(28-19)16(24)10-9-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3
InChIKeyNEXNILOYMQXEOK-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.07
Rot. Bonds8

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

ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate (PubChem CID 58031592) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
PubChem CID58031592
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Nameethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2nc(C)c(C(=O)CCc3ccccc3)s2)C1=O
InChIInChI=1S/C20H23N3O4S/c1-3-27-17(25)13-22-11-12-23(20(22)26)19-21-14(2)18(28-19)16(24)10-9-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3
InChIKeyNEXNILOYMQXEOK-UHFFFAOYSA-N
XLogP3.07
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031680
1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031607
3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
CID 58031535
ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 58031520
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-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
CID 58051090
1-[2-(1H-indol-3-yl)ethyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031411
ethyl 5-methyl-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazole-4-carboxylate
CID 59179647
2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58031478
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-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 58031436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate (CID 58031592) is ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate is CCOC(=O)CN1CCN(c2nc(C)c(C(=O)CCc3ccccc3)s2)C1=O.
What is the InChIKey of ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is NEXNILOYMQXEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-27-17(25)13-22-11-12-23(20(22)26)19-21-14(2)18(28-19)16(24)10-9-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3.
What are the key properties of ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate?
ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 401.49 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 58031592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).