methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate

C8H9N3O3S — CID 58031476

IUPACmethyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCNC2=O)s1
InChIInChI=1S/C8H9N3O3S/c1-14-6(12)5-4-10-8(15-5)11-3-2-9-7(11)13/h4H,2-3H2,1H3,(H,9,13)
InChIKeyRICKCAXQFGAEJA-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.46
Rot. Bonds2

About methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate

methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 58031476) has the molecular formula C8H9N3O3S and a molecular weight of 227.24 g/mol. Its IUPAC name is methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID58031476
Molecular FormulaC8H9N3O3S
Molecular Weight227.24 g/mol
Exact Mass227.04
IUPAC Namemethyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCNC2=O)s1
InChIInChI=1S/C8H9N3O3S/c1-14-6(12)5-4-10-8(15-5)11-3-2-9-7(11)13/h4H,2-3H2,1H3,(H,9,13)
InChIKeyRICKCAXQFGAEJA-UHFFFAOYSA-N
XLogP0.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 80572075
methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate
CID 80571882
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carboxylate
CID 80572955
methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 80571506
methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571616
methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 80571592
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 104961724
methyl 2-(4-benzylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 69197930
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571323
methyl 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 69199219
methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 80572856
methyl 2-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-1,3-thiazole-5-carboxylate
CID 156520065

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate (CID 58031476) is methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCNC2=O)s1.
What is the InChIKey of methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is RICKCAXQFGAEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c1-14-6(12)5-4-10-8(15-5)11-3-2-9-7(11)13/h4H,2-3H2,1H3,(H,9,13).
What are the key properties of methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 227.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58031476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).