N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C21H15F2N3O2S2 — CID 46643796

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 46643796) has the molecular formula C21H15F2N3O2S2 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• PubChem CID: 46643796
• Molecular Formula: C21H15F2N3O2S2
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.06
• IUPAC Name: N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2cccc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2)cs1
• InChI: InChI=1S/C21H15F2N3O2S2/c1-12-24-15(10-29-12)9-28-16-4-2-3-14(7-16)20(27)26-21-25-19(11-30-21)13-5-6-17(22)18(23)8-13/h2-8,10-11H,9H2,1H3,(H,25,26,27)
• InChIKey: CXUBFLXZNPETEG-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 46643796) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

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

The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2)cs1.

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

The InChIKey is CXUBFLXZNPETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S2/c1-12-24-15(10-29-12)9-28-16-4-2-3-14(7-16)20(27)26-21-25-19(11-30-21)13-5-6-17(22)18(23)8-13/h2-8,10-11H,9H2,1H3,(H,25,26,27).

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 443.50 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 46643796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).