6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C16H14ClFN4O3S2 — CID 45262549

IUPAC6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(-c2nccs2)c2nc(N3CCSCC3)c(F)cc2c1=O
InChIInChI=1S/C16H13FN4O3S2.ClH/c17-11-7-9-12(22)10(15(23)24)8-21(16-18-1-4-26-16)13(9)19-14(11)20-2-5-25-6-3-20;/h1,4,7-8H,2-3,5-6H2,(H,23,24);1H
InChIKeyTZBGNRUPCWDMEF-UHFFFAOYSA-N
MW428.90 g/mol
LogP2.65
Rot. Bonds3

About 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride

6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 45262549) has the molecular formula C16H14ClFN4O3S2 and a molecular weight of 428.90 g/mol. Its IUPAC name is 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID45262549
Molecular FormulaC16H14ClFN4O3S2
Molecular Weight428.90 g/mol
Exact Mass428.02
IUPAC Name6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(-c2nccs2)c2nc(N3CCSCC3)c(F)cc2c1=O
InChIInChI=1S/C16H13FN4O3S2.ClH/c17-11-7-9-12(22)10(15(23)24)8-21(16-18-1-4-26-16)13(9)19-14(11)20-2-5-25-6-3-20;/h1,4,7-8H,2-3,5-6H2,(H,23,24);1H
InChIKeyTZBGNRUPCWDMEF-UHFFFAOYSA-N
XLogP2.65
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 45262549) is 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cn(-c2nccs2)c2nc(N3CCSCC3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The InChIKey is TZBGNRUPCWDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S2.ClH/c17-11-7-9-12(22)10(15(23)24)8-21(16-18-1-4-26-16)13(9)19-14(11)20-2-5-25-6-3-20;/h1,4,7-8H,2-3,5-6H2,(H,23,24);1H.
What are the key properties of 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 428.90 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45262549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).