N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide

C26H22F2N2O3S — CID 46165090

About N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide

N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 46165090) has the molecular formula C26H22F2N2O3S and a molecular weight of 480.54 g/mol. Its IUPAC name is N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 46165090
• Molecular Formula: C26H22F2N2O3S
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.13
• IUPAC Name: N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
• SMILES: COc1cc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)ccc1OCc1cc(F)ccc1F
• InChI: InChI=1S/C26H22F2N2O3S/c1-30(14-17-6-4-3-5-7-17)26(31)22-16-34-25(29-22)18-8-11-23(24(13-18)32-2)33-15-19-12-20(27)9-10-21(19)28/h3-13,16H,14-15H2,1-2H3
• InChIKey: WPAIPLWKRPBGMH-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 46165090) is N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)ccc1OCc1cc(F)ccc1F.

What is the InChIKey of N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is WPAIPLWKRPBGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O3S/c1-30(14-17-6-4-3-5-7-17)26(31)22-16-34-25(29-22)18-8-11-23(24(13-18)32-2)33-15-19-12-20(27)9-10-21(19)28/h3-13,16H,14-15H2,1-2H3.

What are the key properties of N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide?

N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46165090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).