ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate

C19H23N3O3S — CID 58031520

IUPACethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCN(CCCc3ccccc3)C2=O)nc1C
InChIInChI=1S/C19H23N3O3S/c1-3-25-17(23)16-14(2)20-18(26-16)22-13-12-21(19(22)24)11-7-10-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-13H2,1-2H3
InChIKeyCWQGBHNECGBVNX-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.50
Rot. Bonds7

About ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 58031520) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID58031520
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nameethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCN(CCCc3ccccc3)C2=O)nc1C
InChIInChI=1S/C19H23N3O3S/c1-3-25-17(23)16-14(2)20-18(26-16)22-13-12-21(19(22)24)11-7-10-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-13H2,1-2H3
InChIKeyCWQGBHNECGBVNX-UHFFFAOYSA-N
XLogP3.50
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate (CID 58031520) is ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCN(CCCc3ccccc3)C2=O)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is CWQGBHNECGBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-25-17(23)16-14(2)20-18(26-16)22-13-12-21(19(22)24)11-7-10-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-13H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58031520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).