(4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

C10H11N3O5S — CID 61144326

IUPAC(4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H11N3O5S/c14-7-1-2-8(15)13(11-7)3-9(16)12-5-19-4-6(12)10(17)18/h1-2,6H,3-5H2,(H,11,14)(H,17,18)/t6-/m0/s1
InChIKeyPNAHAUGDKSMYCG-LURJTMIESA-N
MW285.28 g/mol
LogP-1.48
Rot. Bonds3

About (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144326) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144326
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name(4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H11N3O5S/c14-7-1-2-8(15)13(11-7)3-9(16)12-5-19-4-6(12)10(17)18/h1-2,6H,3-5H2,(H,11,14)(H,17,18)/t6-/m0/s1
InChIKeyPNAHAUGDKSMYCG-LURJTMIESA-N
XLogP-1.48
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 61144326) is (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PNAHAUGDKSMYCG-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N3O5S/c14-7-1-2-8(15)13(11-7)3-9(16)12-5-19-4-6(12)10(17)18/h1-2,6H,3-5H2,(H,11,14)(H,17,18)/t6-/m0/s1.
What are the key properties of (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).