N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

C25H20F5N5O5S — CID 126720450

About N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 126720450) has the molecular formula C25H20F5N5O5S and a molecular weight of 597.52 g/mol. Its IUPAC name is N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
• PubChem CID: 126720450
• Molecular Formula: C25H20F5N5O5S
• Molecular Weight: 597.52 g/mol
• Exact Mass: 597.11
• IUPAC Name: N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
• SMILES: O=C(NC1=NC2(c3nc(NC(=O)c4ccc(OC(F)F)cn4)cs3)COC(C(F)(F)F)CC2CO1)c1ccccc1
• InChI: InChI=1S/C25H20F5N5O5S/c26-22(27)40-15-6-7-16(31-9-15)20(37)32-18-11-41-21(33-18)24-12-39-17(25(28,29)30)8-14(24)10-38-23(35-24)34-19(36)13-4-2-1-3-5-13/h1-7,9,11,14,17,22H,8,10,12H2,(H,32,37)(H,34,35,36)
• InChIKey: QTNLSTXYANZOMC-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 124.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.52
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?

The IUPAC name of N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (CID 126720450) is N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is O=C(NC1=NC2(c3nc(NC(=O)c4ccc(OC(F)F)cn4)cs3)COC(C(F)(F)F)CC2CO1)c1ccccc1.

What is the InChIKey of N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?

The InChIKey is QTNLSTXYANZOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F5N5O5S/c26-22(27)40-15-6-7-16(31-9-15)20(37)32-18-11-41-21(33-18)24-12-39-17(25(28,29)30)8-14(24)10-38-23(35-24)34-19(36)13-4-2-1-3-5-13/h1-7,9,11,14,17,22H,8,10,12H2,(H,32,37)(H,34,35,36).

What are the key properties of N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?

N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide has a molecular weight of 597.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 126720450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).