3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H15N3O3S2 — CID 43359534

IUPAC3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCSc1nc(C)nc(C)c1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H15N3O3S2/c1-6-9(10(19-3)14-7(2)13-6)11(16)15-5-20-4-8(15)12(17)18/h8H,4-5H2,1-3H3,(H,17,18)
InChIKeyQYMLOCLJVAWYMV-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.42
Rot. Bonds3

About 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359534) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359534
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCSc1nc(C)nc(C)c1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H15N3O3S2/c1-6-9(10(19-3)14-7(2)13-6)11(16)15-5-20-4-8(15)12(17)18/h8H,4-5H2,1-3H3,(H,17,18)
InChIKeyQYMLOCLJVAWYMV-UHFFFAOYSA-N
XLogP1.42
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359534) is 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CSc1nc(C)nc(C)c1C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QYMLOCLJVAWYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-6-9(10(19-3)14-7(2)13-6)11(16)15-5-20-4-8(15)12(17)18/h8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).