(4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H13N3O4S2 — CID 61145106

About (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61145106) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 61145106
• Molecular Formula: C11H13N3O4S2
• Molecular Weight: 315.38 g/mol
• Exact Mass: 315.03
• IUPAC Name: (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
• SMILES: CSc1nc(=O)[nH]c(C)c1C(=O)N1CSC[C@H]1C(=O)O
• InChI: InChI=1S/C11H13N3O4S2/c1-5-7(8(19-2)13-11(18)12-5)9(15)14-4-20-3-6(14)10(16)17/h6H,3-4H2,1-2H3,(H,16,17)(H,12,13,18)/t6-/m0/s1
• InChIKey: CSFVVRUBLFJRPE-LURJTMIESA-N
• XLogP: 0.40
• TPSA: 103.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.38
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61145106) is (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CSc1nc(=O)[nH]c(C)c1C(=O)N1CSC[C@H]1C(=O)O.

What is the InChIKey of (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is CSFVVRUBLFJRPE-LURJTMIESA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-5-7(8(19-2)13-11(18)12-5)9(15)14-4-20-3-6(14)10(16)17/h6H,3-4H2,1-2H3,(H,16,17)(H,12,13,18)/t6-/m0/s1.

What are the key properties of (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?

(4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61145106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).