N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine

C23H24F2N6O2S — CID 166121083

About N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine

N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine (PubChem CID 166121083) has the molecular formula C23H24F2N6O2S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine.

Molecular Properties

• Compound Name: N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
• PubChem CID: 166121083
• Molecular Formula: C23H24F2N6O2S
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.16
• IUPAC Name: N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
• SMILES: CC(C)N1CCS(=O)(=O)c2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc21
• InChI: InChI=1S/C23H24F2N6O2S/c1-13(2)31-7-8-34(32,33)22-16(24)9-15(10-19(22)31)21-17(25)12-27-23(30-21)29-20-4-3-14-11-26-6-5-18(14)28-20/h3-4,9-10,12-13,26H,5-8,11H2,1-2H3,(H,27,28,29,30)
• InChIKey: JQTLHQPZBWQSEC-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 100.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?

The IUPAC name of N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine (CID 166121083) is N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine.

What is the SMILES notation for N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?

The canonical SMILES for N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine is CC(C)N1CCS(=O)(=O)c2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc21.

What is the InChIKey of N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?

The InChIKey is JQTLHQPZBWQSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2S/c1-13(2)31-7-8-34(32,33)22-16(24)9-15(10-19(22)31)21-17(25)12-27-23(30-21)29-20-4-3-14-11-26-6-5-18(14)28-20/h3-4,9-10,12-13,26H,5-8,11H2,1-2H3,(H,27,28,29,30).

What are the key properties of N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?

N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine has a molecular weight of 486.55 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine is sourced from PubChem (CID 166121083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).