6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one

C19H13F3N4O2S — CID 58094512

IUPAC6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)cs1
InChIInChI=1S/C19H13F3N4O2S/c1-10-24-15(9-29-10)14-8-11-6-7-23-18(27)16(11)17(26-14)25-12-2-4-13(5-3-12)28-19(20,21)22/h2-9H,1H3,(H,23,27)(H,25,26)
InChIKeyQZNCZDYZYDTQSI-UHFFFAOYSA-N
MW418.40 g/mol
LogP5.00
Rot. Bonds4

About 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one

6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58094512) has the molecular formula C19H13F3N4O2S and a molecular weight of 418.40 g/mol. Its IUPAC name is 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58094512
Molecular FormulaC19H13F3N4O2S
Molecular Weight418.40 g/mol
Exact Mass418.07
IUPAC Name6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)cs1
InChIInChI=1S/C19H13F3N4O2S/c1-10-24-15(9-29-10)14-8-11-6-7-23-18(27)16(11)17(26-14)25-12-2-4-13(5-3-12)28-19(20,21)22/h2-9H,1H3,(H,23,27)(H,25,26)
InChIKeyQZNCZDYZYDTQSI-UHFFFAOYSA-N
XLogP5.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
CID 58093851
ethyl 4-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-1,3-thiazole-2-carboxylate
CID 58094082
8-[4-(1-methylpiperidin-4-yl)anilino]-6-[3-(trifluoromethoxy)phenyl]-2H-2,7-naphthyridin-1-one
CID 58093773
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
CID 66887978
6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 66887485
4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
CID 58094292
8-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58093747
N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide
CID 58166750
6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
CID 58094255
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one (CID 58094512) is 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one is Cc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)cs1.
What is the InChIKey of 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is QZNCZDYZYDTQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2S/c1-10-24-15(9-29-10)14-8-11-6-7-23-18(27)16(11)17(26-14)25-12-2-4-13(5-3-12)28-19(20,21)22/h2-9H,1H3,(H,23,27)(H,25,26).
What are the key properties of 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 418.40 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-thiazol-4-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).