7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C14H7N3O3S — CID 11197255

IUPAC7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESC#Cc1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1
InChIInChI=1S/C14H7N3O3S/c1-2-8-3-4-9-11(18)10(13(19)20)7-17(12(9)16-8)14-15-5-6-21-14/h1,3-7H,(H,19,20)
InChIKeyXKCNNNZSBUJVKV-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.52
Rot. Bonds2

About 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 11197255) has the molecular formula C14H7N3O3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID11197255
Molecular FormulaC14H7N3O3S
Molecular Weight297.30 g/mol
Exact Mass297.02
IUPAC Name7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESC#Cc1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1
InChIInChI=1S/C14H7N3O3S/c1-2-8-3-4-9-11(18)10(13(19)20)7-17(12(9)16-8)14-15-5-6-21-14/h1,3-7H,(H,19,20)
InChIKeyXKCNNNZSBUJVKV-UHFFFAOYSA-N
XLogP1.52
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 11197255) is 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is C#Cc1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1.
What is the InChIKey of 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is XKCNNNZSBUJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3O3S/c1-2-8-3-4-9-11(18)10(13(19)20)7-17(12(9)16-8)14-15-5-6-21-14/h1,3-7H,(H,19,20).
What are the key properties of 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethynyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 11197255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).