2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C10H12N4O3S — CID 55236879

IUPAC2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1ncccn1
InChIInChI=1S/C10H12N4O3S/c1-6-14(7(5-18-6)8(15)16)10(17)13-9-11-3-2-4-12-9/h2-4,6-7H,5H2,1H3,(H,15,16)(H,11,12,13,17)
InChIKeyXXXXQRHLYOBYCJ-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.86
Rot. Bonds2

About 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55236879) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55236879
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1ncccn1
InChIInChI=1S/C10H12N4O3S/c1-6-14(7(5-18-6)8(15)16)10(17)13-9-11-3-2-4-12-9/h2-4,6-7H,5H2,1H3,(H,15,16)(H,11,12,13,17)
InChIKeyXXXXQRHLYOBYCJ-UHFFFAOYSA-N
XLogP0.86
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 55236879) is 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)Nc1ncccn1.
What is the InChIKey of 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XXXXQRHLYOBYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-6-14(7(5-18-6)8(15)16)10(17)13-9-11-3-2-4-12-9/h2-4,6-7H,5H2,1H3,(H,15,16)(H,11,12,13,17).
What are the key properties of 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 268.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55236879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).