(5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C19H18F2N6O2S — CID 122435132

IUPAC(5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(Nc3nccc4cc(F)cnc34)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H18F2N6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1
InChIKeyILDBHCXYFTUYOS-IBGZPJMESA-N
MW432.46 g/mol
LogP2.46
Rot. Bonds3

About (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

(5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 122435132) has the molecular formula C19H18F2N6O2S and a molecular weight of 432.46 g/mol. Its IUPAC name is (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID122435132
Molecular FormulaC19H18F2N6O2S
Molecular Weight432.46 g/mol
Exact Mass432.12
IUPAC Name(5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(Nc3nccc4cc(F)cnc34)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H18F2N6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1
InChIKeyILDBHCXYFTUYOS-IBGZPJMESA-N
XLogP2.46
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 122435132) is (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2cc(Nc3nccc4cc(F)cnc34)ccc2F)CS1(=O)=O.
What is the InChIKey of (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is ILDBHCXYFTUYOS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18F2N6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1.
What are the key properties of (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
(5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 432.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-fluoro-5-[(3-fluoro-1,7-naphthyridin-8-yl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 122435132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).