3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C12H15N3O5S — CID 43359310

IUPAC3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-6-7(10(17)14-12(20)13-6)2-3-9(16)15-5-21-4-8(15)11(18)19/h8H,2-5H2,1H3,(H,18,19)(H2,13,14,17,20)
InChIKeyDMYDTFJDHXPLEZ-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.71
Rot. Bonds4

About 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359310) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359310
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-6-7(10(17)14-12(20)13-6)2-3-9(16)15-5-21-4-8(15)11(18)19/h8H,2-5H2,1H3,(H,18,19)(H2,13,14,17,20)
InChIKeyDMYDTFJDHXPLEZ-UHFFFAOYSA-N
XLogP-0.71
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355536
(2S)-1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61137239
(4R)-3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143607
2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
CID 62627817
(2R)-1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78920246
(4R)-3-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 136048592

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 43359310) is 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DMYDTFJDHXPLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-6-7(10(17)14-12(20)13-6)2-3-9(16)15-5-21-4-8(15)11(18)19/h8H,2-5H2,1H3,(H,18,19)(H2,13,14,17,20).
What are the key properties of 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).