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

C12H13N3O5S — CID 63779843

IUPAC2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H13N3O5S/c16-8-6(3-13-12(20)14-8)9(17)15-7(11(18)19)4-21-10(15)5-1-2-5/h3,5,7,10H,1-2,4H2,(H,18,19)(H2,13,14,16,20)
InChIKeyRCGIDAJCXUZNTO-UHFFFAOYSA-N
MW311.32 g/mol
LogP-0.56
Rot. Bonds3

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

2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779843) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779843
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H13N3O5S/c16-8-6(3-13-12(20)14-8)9(17)15-7(11(18)19)4-21-10(15)5-1-2-5/h3,5,7,10H,1-2,4H2,(H,18,19)(H2,13,14,16,20)
InChIKeyRCGIDAJCXUZNTO-UHFFFAOYSA-N
XLogP-0.56
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63779843) is 2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RCGIDAJCXUZNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c16-8-6(3-13-12(20)14-8)9(17)15-7(11(18)19)4-21-10(15)5-1-2-5/h3,5,7,10H,1-2,4H2,(H,18,19)(H2,13,14,16,20).
What are the key properties of 2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).