2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid

C9H10N2O3S — CID 66378766

IUPAC2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CN2CCCC2=O)n1
InChIInChI=1S/C9H10N2O3S/c12-8-2-1-3-11(8)4-7-10-6(5-15-7)9(13)14/h5H,1-4H2,(H,13,14)
InChIKeyBBENTMRIZJOPRU-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.96
Rot. Bonds3

About 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid

2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66378766) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66378766
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CN2CCCC2=O)n1
InChIInChI=1S/C9H10N2O3S/c12-8-2-1-3-11(8)4-7-10-6(5-15-7)9(13)14/h5H,1-4H2,(H,13,14)
InChIKeyBBENTMRIZJOPRU-UHFFFAOYSA-N
XLogP0.96
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372883
2-[(3,5-dioxo-1,2,4-triazolidin-4-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 107409527
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]azepan-2-one
CID 43138413
2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 131001151
2-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66375513
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 39159965
2-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 119719349
4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572610
2-[(3-ethylazetidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 79688727
2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372505
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159913
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47143924

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid (CID 66378766) is 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CN2CCCC2=O)n1.
What is the InChIKey of 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BBENTMRIZJOPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-8-2-1-3-11(8)4-7-10-6(5-15-7)9(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66378766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).