ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate

C15H13N3O3S — CID 91367850

IUPACethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2nccs2)c2nc(C)ccc2c1=O
InChIInChI=1S/C15H13N3O3S/c1-3-21-14(20)11-8-18(15-16-6-7-22-15)13-10(12(11)19)5-4-9(2)17-13/h4-8H,3H2,1-2H3
InChIKeyYNRQBFXQXBOAMU-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.33
Rot. Bonds3

About ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate

ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate (PubChem CID 91367850) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
PubChem CID91367850
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Nameethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2nccs2)c2nc(C)ccc2c1=O
InChIInChI=1S/C15H13N3O3S/c1-3-21-14(20)11-8-18(15-16-6-7-22-15)13-10(12(11)19)5-4-9(2)17-13/h4-8H,3H2,1-2H3
InChIKeyYNRQBFXQXBOAMU-UHFFFAOYSA-N
XLogP2.33
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 11002551
ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate
CID 11823896
ethyl 7-[(3R,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 139741177
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 7-chloro-5-(hydroxyamino)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 142435577
ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 10972101
ethyl 7-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 84584071
ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 142434761
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358
ethyl 7-methyl-1-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 75471596
4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate (CID 91367850) is ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2nccs2)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is YNRQBFXQXBOAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-3-21-14(20)11-8-18(15-16-6-7-22-15)13-10(12(11)19)5-4-9(2)17-13/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate?
ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 91367850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).