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

C11H14N4O5S — CID 107629310

IUPAC3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)N2CSCC2C(=O)O)n1
InChIInChI=1S/C11H14N4O5S/c1-19-7-3-8(20-2)13-10(12-7)14-11(18)15-5-21-4-6(15)9(16)17/h3,6H,4-5H2,1-2H3,(H,16,17)(H,12,13,14,18)
InChIKeyZUDJDQRTFIKOFN-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.49
Rot. Bonds4

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

3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107629310) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID107629310
Molecular FormulaC11H14N4O5S
Molecular Weight314.32 g/mol
Exact Mass314.07
IUPAC Name3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)N2CSCC2C(=O)O)n1
InChIInChI=1S/C11H14N4O5S/c1-19-7-3-8(20-2)13-10(12-7)14-11(18)15-5-21-4-6(15)9(16)17/h3,6H,4-5H2,1-2H3,(H,16,17)(H,12,13,14,18)
InChIKeyZUDJDQRTFIKOFN-UHFFFAOYSA-N
XLogP0.49
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107602169
(4R)-3-[(2,4-dibromo-5-methoxyphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103416236
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204328
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 107629128
1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107602132
3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62781800
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
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 107629310) is 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is COc1cc(OC)nc(NC(=O)N2CSCC2C(=O)O)n1.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZUDJDQRTFIKOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c1-19-7-3-8(20-2)13-10(12-7)14-11(18)15-5-21-4-6(15)9(16)17/h3,6H,4-5H2,1-2H3,(H,16,17)(H,12,13,14,18).
What are the key properties of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107629310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).