N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide

C19H11F3N4OS — CID 46908506

IUPACN-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cncc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C19H11F3N4OS/c20-19(21,22)13-3-1-2-11(8-13)14-10-23-9-12-4-5-15(25-16(12)14)17(27)26-18-24-6-7-28-18/h1-10H,(H,24,26,27)
InChIKeyWLSLEHWAQOOYKB-UHFFFAOYSA-N
MW400.39 g/mol
LogP5.02
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide

N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 46908506) has the molecular formula C19H11F3N4OS and a molecular weight of 400.39 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID46908506
Molecular FormulaC19H11F3N4OS
Molecular Weight400.39 g/mol
Exact Mass400.06
IUPAC NameN-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cncc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C19H11F3N4OS/c20-19(21,22)13-3-1-2-11(8-13)14-10-23-9-12-4-5-15(25-16(12)14)17(27)26-18-24-6-7-28-18/h1-10H,(H,24,26,27)
InChIKeyWLSLEHWAQOOYKB-UHFFFAOYSA-N
XLogP5.02
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide (CID 46908506) is N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide is O=C(Nc1nccs1)c1ccc2cncc(-c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is WLSLEHWAQOOYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4OS/c20-19(21,22)13-3-1-2-11(8-13)14-10-23-9-12-4-5-15(25-16(12)14)17(27)26-18-24-6-7-28-18/h1-10H,(H,24,26,27).
What are the key properties of N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 46908506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).