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

C9H10N2O4S — CID 168664222

IUPAC2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CC(CO)CC2=O)n1
InChIInChI=1S/C9H10N2O4S/c12-3-5-1-7(13)11(2-5)9-10-6(4-16-9)8(14)15/h4-5,12H,1-3H2,(H,14,15)
InChIKeyRYHUTGBBVDEISU-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.19
Rot. Bonds3

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

2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 168664222) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID168664222
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CC(CO)CC2=O)n1
InChIInChI=1S/C9H10N2O4S/c12-3-5-1-7(13)11(2-5)9-10-6(4-16-9)8(14)15/h4-5,12H,1-3H2,(H,14,15)
InChIKeyRYHUTGBBVDEISU-UHFFFAOYSA-N
XLogP0.19
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 168661364
ethyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 168662155
methyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 168662270
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 130700102
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 168662123
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 168664283
1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664210
1-(5-chloro-4-methyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662706
S-[[5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168668940
4-(aminomethyl)-1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168661338
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672258
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid (CID 168664222) is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(N2CC(CO)CC2=O)n1.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RYHUTGBBVDEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c12-3-5-1-7(13)11(2-5)9-10-6(4-16-9)8(14)15/h4-5,12H,1-3H2,(H,14,15).
What are the key properties of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 168664222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).