3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

C19H14F4N2O3S — CID 78883572

About 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 78883572) has the molecular formula C19H14F4N2O3S and a molecular weight of 426.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
• PubChem CID: 78883572
• Molecular Formula: C19H14F4N2O3S
• Molecular Weight: 426.39 g/mol
• Exact Mass: 426.07
• IUPAC Name: 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1OC(F)F
• InChI: InChI=1S/C19H14F4N2O3S/c1-27-15-5-3-11(8-16(15)28-18(22)23)17(26)25-19-24-9-12(29-19)6-10-2-4-13(20)14(21)7-10/h2-5,7-9,18H,6H2,1H3,(H,24,25,26)
• InChIKey: ZKLHJMODLJBHTQ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.39
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?

The IUPAC name of 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 78883572) is 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.

What is the SMILES notation for 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?

The canonical SMILES for 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1OC(F)F.

What is the InChIKey of 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?

The InChIKey is ZKLHJMODLJBHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O3S/c1-27-15-5-3-11(8-16(15)28-18(22)23)17(26)25-19-24-9-12(29-19)6-10-2-4-13(20)14(21)7-10/h2-5,7-9,18H,6H2,1H3,(H,24,25,26).

What are the key properties of 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?

3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 426.39 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 78883572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).