(4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C9H9N3O5S — CID 28773380

IUPAC(4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H9N3O5S/c13-6-4(1-10-9(17)11-6)7(14)12-3-18-2-5(12)8(15)16/h1,5H,2-3H2,(H,15,16)(H2,10,11,13,17)/t5-/m0/s1
InChIKeyFDCNMZDJLSPBEL-YFKPBYRVSA-N
MW271.25 g/mol
LogP-1.34
Rot. Bonds2

About (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28773380) has the molecular formula C9H9N3O5S and a molecular weight of 271.25 g/mol. Its IUPAC name is (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID28773380
Molecular FormulaC9H9N3O5S
Molecular Weight271.25 g/mol
Exact Mass271.03
IUPAC Name(4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H9N3O5S/c13-6-4(1-10-9(17)11-6)7(14)12-3-18-2-5(12)8(15)16/h1,5H,2-3H2,(H,15,16)(H2,10,11,13,17)/t5-/m0/s1
InChIKeyFDCNMZDJLSPBEL-YFKPBYRVSA-N
XLogP-1.34
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S,4S)-3-acetyl-4-(hydroxymethyl)-1,3-thiazolidin-2-yl]-1H-pyrimidine-2,4-dione
CID 10016021
5-[(2R,4R)-3-acetyl-4-(hydroxymethyl)-1,3-thiazolidin-2-yl]-1H-pyrimidine-2,4-dione
CID 10265197
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 24279080
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 28773280
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 28773282
3-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172216
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 43209496
3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209510
3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55235124
(4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144976
3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]thiolane-3-carboxylic acid
CID 61685483
2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779843

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 28773380) is (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FDCNMZDJLSPBEL-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9N3O5S/c13-6-4(1-10-9(17)11-6)7(14)12-3-18-2-5(12)8(15)16/h1,5H,2-3H2,(H,15,16)(H2,10,11,13,17)/t5-/m0/s1.
What are the key properties of (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of -1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28773380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).