ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate

C13H19N3O3S — CID 67000960

IUPACethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCCN1C(=O)N(c2ncc(C(=O)OCC)s2)CC1C
InChIInChI=1S/C13H19N3O3S/c1-4-6-15-9(3)8-16(13(15)18)12-14-7-10(20-12)11(17)19-5-2/h7,9H,4-6,8H2,1-3H3
InChIKeyHNZTWOVMPQWBPU-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.36
Rot. Bonds5

About ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate

ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 67000960) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID67000960
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCCN1C(=O)N(c2ncc(C(=O)OCC)s2)CC1C
InChIInChI=1S/C13H19N3O3S/c1-4-6-15-9(3)8-16(13(15)18)12-14-7-10(20-12)11(17)19-5-2/h7,9H,4-6,8H2,1-3H3
InChIKeyHNZTWOVMPQWBPU-UHFFFAOYSA-N
XLogP2.36
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate (CID 67000960) is ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate is CCCN1C(=O)N(c2ncc(C(=O)OCC)s2)CC1C.
What is the InChIKey of ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is HNZTWOVMPQWBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-6-15-9(3)8-16(13(15)18)12-14-7-10(20-12)11(17)19-5-2/h7,9H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate?
ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67000960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).