cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

C25H31F2N5O3S — CID 144972562

About cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 144972562) has the molecular formula C25H31F2N5O3S and a molecular weight of 519.62 g/mol. Its IUPAC name is cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

• Compound Name: cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
• PubChem CID: 144972562
• Molecular Formula: C25H31F2N5O3S
• Molecular Weight: 519.62 g/mol
• Exact Mass: 519.21
• IUPAC Name: cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
• SMILES: C1CC1.CC.COc1cnc2c(Nc3ccc(F)c(C4CS(=O)(=O)C(CF)C(N)=N4)c3)nccc2c1
• InChI: InChI=1S/C20H19F2N5O3S.C3H6.C2H6/c1-30-13-6-11-4-5-24-20(18(11)25-9-13)26-12-2-3-15(22)14(7-12)16-10-31(28,29)17(8-21)19(23)27-16;1-2-3-1;1-2/h2-7,9,16-17H,8,10H2,1H3,(H2,23,27)(H,24,26);1-3H2;1-2H3
• InChIKey: VVEVUDSJVBDXMN-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 119.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.62
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?

The IUPAC name of cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 144972562) is cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.

What is the SMILES notation for cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?

The canonical SMILES for cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is C1CC1.CC.COc1cnc2c(Nc3ccc(F)c(C4CS(=O)(=O)C(CF)C(N)=N4)c3)nccc2c1.

What is the InChIKey of cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?

The InChIKey is VVEVUDSJVBDXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3S.C3H6.C2H6/c1-30-13-6-11-4-5-24-20(18(11)25-9-13)26-12-2-3-15(22)14(7-12)16-10-31(28,29)17(8-21)19(23)27-16;1-2-3-1;1-2/h2-7,9,16-17H,8,10H2,1H3,(H2,23,27)(H,24,26);1-3H2;1-2H3.

What are the key properties of cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?

cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 519.62 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 144972562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).