ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate

C10H12BrN3O3S — CID 168699278

IUPACethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(N)CC2=O)sc1Br
InChIInChI=1S/C10H12BrN3O3S/c1-2-17-9(16)7-8(11)18-10(13-7)14-4-5(12)3-6(14)15/h5H,2-4,12H2,1H3
InChIKeyDBLABHZJACWFCT-UHFFFAOYSA-N
MW334.20 g/mol
LogP1.15
Rot. Bonds3

About ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate

ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate (PubChem CID 168699278) has the molecular formula C10H12BrN3O3S and a molecular weight of 334.20 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate
PubChem CID168699278
Molecular FormulaC10H12BrN3O3S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Nameethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CC(N)CC2=O)sc1Br
InChIInChI=1S/C10H12BrN3O3S/c1-2-17-9(16)7-8(11)18-10(13-7)14-4-5(12)3-6(14)15/h5H,2-4,12H2,1H3
InChIKeyDBLABHZJACWFCT-UHFFFAOYSA-N
XLogP1.15
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 168696229
ethyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 168507161
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-dimethylthiophene-3-carboxylate
CID 168699288
ethyl 5-bromo-2-iodo-1,3-thiazole-4-carboxylate
CID 91903052
ethyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
CID 59291239
ethyl 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3,4-thiadiazole-2-carboxylate
CID 168687504
ethyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 168659314
ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 155124766
ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 168708241
ethyl 4-(4-amino-2-oxopyrrolidin-1-yl)-1H-pyrazole-5-carboxylate
CID 168699266
ethyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 168662155
4-amino-1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168699321

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate (CID 168699278) is ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N2CC(N)CC2=O)sc1Br.
What is the InChIKey of ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate?
The InChIKey is DBLABHZJACWFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3S/c1-2-17-9(16)7-8(11)18-10(13-7)14-4-5(12)3-6(14)15/h5H,2-4,12H2,1H3.
What are the key properties of ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate?
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate has a molecular weight of 334.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 168699278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).