7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C18H16N4O5S — CID 158713347

IUPAC7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)CO)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C18H16N4O5S/c1-9-4-13(21-5-10(6-21)12(24)8-23)20-16-14(9)15(25)11(17(26)27)7-22(16)18-19-2-3-28-18/h2-4,7,10,23H,5-6,8H2,1H3,(H,26,27)
InChIKeyIIZRRRYBLZIIDZ-UHFFFAOYSA-N
MW400.42 g/mol
LogP0.85
Rot. Bonds5

About 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 158713347) has the molecular formula C18H16N4O5S and a molecular weight of 400.42 g/mol. Its IUPAC name is 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID158713347
Molecular FormulaC18H16N4O5S
Molecular Weight400.42 g/mol
Exact Mass400.08
IUPAC Name7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)CO)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C18H16N4O5S/c1-9-4-13(21-5-10(6-21)12(24)8-23)20-16-14(9)15(25)11(17(26)27)7-22(16)18-19-2-3-28-18/h2-4,7,10,23H,5-6,8H2,1H3,(H,26,27)
InChIKeyIIZRRRYBLZIIDZ-UHFFFAOYSA-N
XLogP0.85
TPSA125.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 158713347) is 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(C(=O)CO)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1.
What is the InChIKey of 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is IIZRRRYBLZIIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5S/c1-9-4-13(21-5-10(6-21)12(24)8-23)20-16-14(9)15(25)11(17(26)27)7-22(16)18-19-2-3-28-18/h2-4,7,10,23H,5-6,8H2,1H3,(H,26,27).
What are the key properties of 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 400.42 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 158713347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).