N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide

C19H11F3N4OS — CID 89033865

IUPACN-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2nccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C19H11F3N4OS/c20-19(21,22)12-3-1-2-11(10-12)13-6-7-23-14-4-5-15(25-16(13)14)17(27)26-18-24-8-9-28-18/h1-10H,(H,24,26,27)
InChIKeyNBYSOTNSRVFGBF-UHFFFAOYSA-N
MW400.39 g/mol
LogP5.02
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide

N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide (PubChem CID 89033865) 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]-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide
PubChem CID89033865
Molecular FormulaC19H11F3N4OS
Molecular Weight400.39 g/mol
Exact Mass400.06
IUPAC NameN-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2nccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C19H11F3N4OS/c20-19(21,22)12-3-1-2-11(10-12)13-6-7-23-14-4-5-15(25-16(13)14)17(27)26-18-24-8-9-28-18/h1-10H,(H,24,26,27)
InChIKeyNBYSOTNSRVFGBF-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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Related Compounds

6-[difluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 91886057
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CID 164829060
2-Quinolinecarboxamide, N-2-thiazolyl-
CID 2576269
N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 855426
2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2574433
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566
4-(pyrimidin-4-ylamino)-N-(4-(6-(trifluoromethyl)pyridin-2-yl)thiazol-2-yl)benzamide
CID 11503128
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyrimidin-5-ylamino)benzamide
CID 11590686
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyridin-4-ylamino)benzamide
CID 11612275
6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 118400861
4-[[6-(5-Thiazolyl)-8-(trifluoromethyl)-4-quinazolinyl]amino]benzamide
CID 118736875
2-(2,5-dimethylphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 1261317

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide (CID 89033865) is N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide is O=C(Nc1nccs1)c1ccc2nccc(-c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide?
The InChIKey is NBYSOTNSRVFGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4OS/c20-19(21,22)12-3-1-2-11(10-12)13-6-7-23-14-4-5-15(25-16(13)14)17(27)26-18-24-8-9-28-18/h1-10H,(H,24,26,27).
What are the key properties of N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxamide?
N-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,5-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]-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 89033865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).