3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

C10H11N3O4S — CID 43172191

IUPAC3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H11N3O4S/c14-8(4-12-3-1-2-11-10(12)17)13-6-18-5-7(13)9(15)16/h1-3,7H,4-6H2,(H,15,16)
InChIKeyCRNDXBOEXACCER-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.77
Rot. Bonds3

About 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172191) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172191
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H11N3O4S/c14-8(4-12-3-1-2-11-10(12)17)13-6-18-5-7(13)9(15)16/h1-3,7H,4-6H2,(H,15,16)
InChIKeyCRNDXBOEXACCER-UHFFFAOYSA-N
XLogP-0.77
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 43172191) is 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CRNDXBOEXACCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c14-8(4-12-3-1-2-11-10(12)17)13-6-18-5-7(13)9(15)16/h1-3,7H,4-6H2,(H,15,16).
What are the key properties of 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).