N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

C19H20F3N5O3S2 — CID 145279796

About N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 145279796) has the molecular formula C19H20F3N5O3S2 and a molecular weight of 487.53 g/mol. Its IUPAC name is N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
• PubChem CID: 145279796
• Molecular Formula: C19H20F3N5O3S2
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.10
• IUPAC Name: N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
• SMILES: C[C@@]1(CF)CC2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)CO1
• InChI: InChI=1S/C19H20F3N5O3S2/c1-18(8-20)4-10-6-32-17(23)27-19(10,9-29-18)15-26-13(7-31-15)25-14(28)12-3-2-11(5-24-12)30-16(21)22/h2-3,5,7,10,16H,4,6,8-9H2,1H3,(H2,23,27)(H,25,28)/t10?,18-,19-/m0/s1
• InChIKey: MZQDULAWPSJHHI-ICMJIFKTSA-N
• XLogP: 3.41
• TPSA: 111.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.53
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?

The IUPAC name of N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (CID 145279796) is N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is C[C@@]1(CF)CC2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)CO1.

What is the InChIKey of N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?

The InChIKey is MZQDULAWPSJHHI-ICMJIFKTSA-N. The full InChI is InChI=1S/C19H20F3N5O3S2/c1-18(8-20)4-10-6-32-17(23)27-19(10,9-29-18)15-26-13(7-31-15)25-14(28)12-3-2-11(5-24-12)30-16(21)22/h2-3,5,7,10,16H,4,6,8-9H2,1H3,(H2,23,27)(H,25,28)/t10?,18-,19-/m0/s1.

What are the key properties of N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?

N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 145279796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).