ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C18H18N4O5S — CID 84571978

IUPACethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2C(=O)NC(c3ccccc3)C2=O)n1
InChIInChI=1S/C18H18N4O5S/c1-2-27-14(24)8-12-10-28-17(19-12)20-13(23)9-22-16(25)15(21-18(22)26)11-6-4-3-5-7-11/h3-7,10,15H,2,8-9H2,1H3,(H,21,26)(H,19,20,23)
InChIKeyZDMRTHDQSSPFJM-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.48
Rot. Bonds7

About ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 84571978) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID84571978
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Nameethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2C(=O)NC(c3ccccc3)C2=O)n1
InChIInChI=1S/C18H18N4O5S/c1-2-27-14(24)8-12-10-28-17(19-12)20-13(23)9-22-16(25)15(21-18(22)26)11-6-4-3-5-7-11/h3-7,10,15H,2,8-9H2,1H3,(H,21,26)(H,19,20,23)
InChIKeyZDMRTHDQSSPFJM-UHFFFAOYSA-N
XLogP1.48
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
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2-methylpropyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84571976
ethyl 2-[2-[[2-(2-formylpyrrol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
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CID 112800231
ethyl 2-[2-[[2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 90495341
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
ethyl 2-[2-[[2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
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[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 84571978) is ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CN2C(=O)NC(c3ccccc3)C2=O)n1.
What is the InChIKey of ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZDMRTHDQSSPFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-2-27-14(24)8-12-10-28-17(19-12)20-13(23)9-22-16(25)15(21-18(22)26)11-6-4-3-5-7-11/h3-7,10,15H,2,8-9H2,1H3,(H,21,26)(H,19,20,23).
What are the key properties of ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 402.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 84571978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).