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

C11H13N3O4S2 — CID 43359535

IUPAC3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N1CSCC1C(=O)O
InChIInChI=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)
InChIKeyCSFVVRUBLFJRPE-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.40
Rot. Bonds3

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

3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359535) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359535
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N1CSCC1C(=O)O
InChIInChI=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)
InChIKeyCSFVVRUBLFJRPE-UHFFFAOYSA-N
XLogP0.40
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43170569
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43170860
6-methyl-2-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43350689
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 43353511
3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43354084
1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355679
2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43356358
2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid
CID 43465448
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43469482
2-[cyclopropylmethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43655551
2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 54900843
(2R)-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 54990550

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359535) is 3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 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)N1CSCC1C(=O)O.
What is the InChIKey of 3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CSFVVRUBLFJRPE-UHFFFAOYSA-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).
What are the key properties of 3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
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 3-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).