(4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H14N2O4S — CID 61143168

IUPAC(4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CSC[C@H]2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H14N2O4S/c1-6-3-7(2)13-10(15)9(6)11(16)14-5-19-4-8(14)12(17)18/h3,8H,4-5H2,1-2H3,(H,13,15)(H,17,18)/t8-/m0/s1
InChIKeyCGQDRGUIMQZODX-QMMMGPOBSA-N
MW282.32 g/mol
LogP0.59
Rot. Bonds2

About (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143168) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143168
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name(4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CSC[C@H]2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H14N2O4S/c1-6-3-7(2)13-10(15)9(6)11(16)14-5-19-4-8(14)12(17)18/h3,8H,4-5H2,1-2H3,(H,13,15)(H,17,18)/t8-/m0/s1
InChIKeyCGQDRGUIMQZODX-QMMMGPOBSA-N
XLogP0.59
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61143168) is (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1cc(C)c(C(=O)N2CSC[C@H]2C(=O)O)c(=O)[nH]1.
What is the InChIKey of (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CGQDRGUIMQZODX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-6-3-7(2)13-10(15)9(6)11(16)14-5-19-4-8(14)12(17)18/h3,8H,4-5H2,1-2H3,(H,13,15)(H,17,18)/t8-/m0/s1.
What are the key properties of (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).