N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide

C20H13F3N4OS — CID 89033838

IUPACN-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3cncc(-c4cccc(C(F)(F)F)c4)c3n2)s1
InChIInChI=1S/C20H13F3N4OS/c1-11-8-25-19(29-11)27-18(28)16-6-5-13-9-24-10-15(17(13)26-16)12-3-2-4-14(7-12)20(21,22)23/h2-10H,1H3,(H,25,27,28)
InChIKeyZLVNSUZZSPGFIQ-UHFFFAOYSA-N
MW414.41 g/mol
LogP5.33
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 89033838) has the molecular formula C20H13F3N4OS and a molecular weight of 414.41 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID89033838
Molecular FormulaC20H13F3N4OS
Molecular Weight414.41 g/mol
Exact Mass414.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3cncc(-c4cccc(C(F)(F)F)c4)c3n2)s1
InChIInChI=1S/C20H13F3N4OS/c1-11-8-25-19(29-11)27-18(28)16-6-5-13-9-24-10-15(17(13)26-16)12-3-2-4-14(7-12)20(21,22)23/h2-10H,1H3,(H,25,27,28)
InChIKeyZLVNSUZZSPGFIQ-UHFFFAOYSA-N
XLogP5.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 89033948
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278852
N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853158
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 146078378
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4846392
N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853301
N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 4813517
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 166163058
N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853123
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 3232259
N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70852931
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide (CID 89033838) is N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide is Cc1cnc(NC(=O)c2ccc3cncc(-c4cccc(C(F)(F)F)c4)c3n2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is ZLVNSUZZSPGFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS/c1-11-8-25-19(29-11)27-18(28)16-6-5-13-9-24-10-15(17(13)26-16)12-3-2-4-14(7-12)20(21,22)23/h2-10H,1H3,(H,25,27,28).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 414.41 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 89033838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).