(4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H14N4O4S — CID 107602169

IUPAC(4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)N2CSC[C@H]2C(=O)O)n1
InChIInChI=1S/C11H14N4O4S/c1-6-3-8(19-2)13-10(12-6)14-11(18)15-5-20-4-7(15)9(16)17/h3,7H,4-5H2,1-2H3,(H,16,17)(H,12,13,14,18)/t7-/m0/s1
InChIKeyXVNXFEUMSOLWFV-ZETCQYMHSA-N
MW298.32 g/mol
LogP0.79
Rot. Bonds3

About (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107602169) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID107602169
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name(4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)N2CSC[C@H]2C(=O)O)n1
InChIInChI=1S/C11H14N4O4S/c1-6-3-8(19-2)13-10(12-6)14-11(18)15-5-20-4-7(15)9(16)17/h3,7H,4-5H2,1-2H3,(H,16,17)(H,12,13,14,18)/t7-/m0/s1
InChIKeyXVNXFEUMSOLWFV-ZETCQYMHSA-N
XLogP0.79
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107629310
1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107602132
2-[1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107602147
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
(4R)-3-[(2,4-dibromo-5-methoxyphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103416236
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107605555
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204328
3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63327691
3-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 107602169) is (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is COc1cc(C)nc(NC(=O)N2CSC[C@H]2C(=O)O)n1.
What is the InChIKey of (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XVNXFEUMSOLWFV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-6-3-8(19-2)13-10(12-6)14-11(18)15-5-20-4-7(15)9(16)17/h3,7H,4-5H2,1-2H3,(H,16,17)(H,12,13,14,18)/t7-/m0/s1.
What are the key properties of (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107602169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).