ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate

C12H16N2O4S — CID 168662123

IUPACethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N2CC(CO)CC2=O)n1
InChIInChI=1S/C12H16N2O4S/c1-2-18-11(17)4-9-7-19-12(13-9)14-5-8(6-15)3-10(14)16/h7-8,15H,2-6H2,1H3
InChIKeyRBFZZSJNNVWEPS-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.59
Rot. Bonds5

About ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate (PubChem CID 168662123) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
PubChem CID168662123
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Nameethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N2CC(CO)CC2=O)n1
InChIInChI=1S/C12H16N2O4S/c1-2-18-11(17)4-9-7-19-12(13-9)14-5-8(6-15)3-10(14)16/h7-8,15H,2-6H2,1H3
InChIKeyRBFZZSJNNVWEPS-UHFFFAOYSA-N
XLogP0.59
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 168662270
ethyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 168662155
ethyl 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 103541690
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 168664222
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate
CID 168662122
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
1-(5-chloro-4-methyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662706
methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 168713908
ethyl 2-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574460
ethyl 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574451
ethyl 2-[2-(2-ethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574752
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate (CID 168662123) is ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N2CC(CO)CC2=O)n1.
What is the InChIKey of ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate?
The InChIKey is RBFZZSJNNVWEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-18-11(17)4-9-7-19-12(13-9)14-5-8(6-15)3-10(14)16/h7-8,15H,2-6H2,1H3.
What are the key properties of ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate has a molecular weight of 284.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 168662123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).