methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate

C14H11N3O3S — CID 25239675

IUPACmethyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(-c3nccs3)ccc2nc1C
InChIInChI=1S/C14H11N3O3S/c1-8-9(13(19)20-2)7-10-11(16-8)3-5-17(12(10)18)14-15-4-6-21-14/h3-7H,1-2H3
InChIKeyNBVQKUGKMQUWCI-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.94
Rot. Bonds2

About methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate

methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate (PubChem CID 25239675) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate
PubChem CID25239675
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Namemethyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(-c3nccs3)ccc2nc1C
InChIInChI=1S/C14H11N3O3S/c1-8-9(13(19)20-2)7-10-11(16-8)3-5-17(12(10)18)14-15-4-6-21-14/h3-7H,1-2H3
InChIKeyNBVQKUGKMQUWCI-UHFFFAOYSA-N
XLogP1.94
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate (CID 25239675) is methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c(=O)n(-c3nccs3)ccc2nc1C.
What is the InChIKey of methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate?
The InChIKey is NBVQKUGKMQUWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-8-9(13(19)20-2)7-10-11(16-8)3-5-17(12(10)18)14-15-4-6-21-14/h3-7H,1-2H3.
What are the key properties of methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate?
methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate has a molecular weight of 301.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 25239675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).