1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

C18H16N6O3S — CID 90602858

IUPAC1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nnc(-c3csc(C)n3)o2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C18H16N6O3S/c1-4-24-7-12(14(25)11-6-5-9(2)19-15(11)24)16(26)21-18-23-22-17(27-18)13-8-28-10(3)20-13/h5-8H,4H2,1-3H3,(H,21,23,26)
InChIKeyLSHCKXWAMDMFIQ-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.79
Rot. Bonds4

About 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 90602858) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID90602858
Molecular FormulaC18H16N6O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Name1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nnc(-c3csc(C)n3)o2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C18H16N6O3S/c1-4-24-7-12(14(25)11-6-5-9(2)19-15(11)24)16(26)21-18-23-22-17(27-18)13-8-28-10(3)20-13/h5-8H,4H2,1-3H3,(H,21,23,26)
InChIKeyLSHCKXWAMDMFIQ-UHFFFAOYSA-N
XLogP2.79
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602753
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602901
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
3,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602756
N-(2-benzylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2083370
1-ethyl-N-(5-fluoro-2-methylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087079
3-methoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90602900
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 90602858) is 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2nnc(-c3csc(C)n3)o2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LSHCKXWAMDMFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c1-4-24-7-12(14(25)11-6-5-9(2)19-15(11)24)16(26)21-18-23-22-17(27-18)13-8-28-10(3)20-13/h5-8H,4H2,1-3H3,(H,21,23,26).
What are the key properties of 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 90602858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).