5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid

C12H13N3O5S — CID 70038018

IUPAC5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1nc(N2CCCS2(O)O)c2cccnc2c1O
InChIInChI=1S/C12H13N3O5S/c16-10-8-7(3-1-4-13-8)11(14-9(10)12(17)18)15-5-2-6-21(15,19)20/h1,3-4,16,19-20H,2,5-6H2,(H,17,18)
InChIKeyAJLOVIOBNQXLHQ-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.91
Rot. Bonds2

About 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid

5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid (PubChem CID 70038018) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
PubChem CID70038018
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1nc(N2CCCS2(O)O)c2cccnc2c1O
InChIInChI=1S/C12H13N3O5S/c16-10-8-7(3-1-4-13-8)11(14-9(10)12(17)18)15-5-2-6-21(15,19)20/h1,3-4,16,19-20H,2,5-6H2,(H,17,18)
InChIKeyAJLOVIOBNQXLHQ-UHFFFAOYSA-N
XLogP1.91
TPSA127.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid (CID 70038018) is 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid is O=C(O)c1nc(N2CCCS2(O)O)c2cccnc2c1O.
What is the InChIKey of 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is AJLOVIOBNQXLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c16-10-8-7(3-1-4-13-8)11(14-9(10)12(17)18)15-5-2-6-21(15,19)20/h1,3-4,16,19-20H,2,5-6H2,(H,17,18).
What are the key properties of 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 70038018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).