(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid

C12H15N3O5S — CID 61145277

IUPAC(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCn1nc(C(=O)N2CSC[C@H]2C(=O)O)ccc1=O
InChIInChI=1S/C12H15N3O5S/c1-20-5-4-15-10(16)3-2-8(13-15)11(17)14-7-21-6-9(14)12(18)19/h2-3,9H,4-7H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyGMUBGKXRLWONGT-VIFPVBQESA-N
MW313.34 g/mol
LogP-0.51
Rot. Bonds5

About (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61145277) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61145277
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCn1nc(C(=O)N2CSC[C@H]2C(=O)O)ccc1=O
InChIInChI=1S/C12H15N3O5S/c1-20-5-4-15-10(16)3-2-8(13-15)11(17)14-7-21-6-9(14)12(18)19/h2-3,9H,4-7H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyGMUBGKXRLWONGT-VIFPVBQESA-N
XLogP-0.51
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 61145277) is (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid is COCCn1nc(C(=O)N2CSC[C@H]2C(=O)O)ccc1=O.
What is the InChIKey of (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GMUBGKXRLWONGT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-20-5-4-15-10(16)3-2-8(13-15)11(17)14-7-21-6-9(14)12(18)19/h2-3,9H,4-7H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61145277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).