2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

C21H20F2N2O2S — CID 46068237

About 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46068237) has the molecular formula C21H20F2N2O2S and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 46068237
• Molecular Formula: C21H20F2N2O2S
• Molecular Weight: 402.47 g/mol
• Exact Mass: 402.12
• IUPAC Name: 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
• SMILES: CC(C)N(C)C(=O)c1csc(-c2ccccc2OCc2ccc(F)c(F)c2)n1
• InChI: InChI=1S/C21H20F2N2O2S/c1-13(2)25(3)21(26)18-12-28-20(24-18)15-6-4-5-7-19(15)27-11-14-8-9-16(22)17(23)10-14/h4-10,12-13H,11H2,1-3H3
• InChIKey: XNOWONFXDGYKQC-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.47
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46068237) is 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(C)C(=O)c1csc(-c2ccccc2OCc2ccc(F)c(F)c2)n1.

What is the InChIKey of 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is XNOWONFXDGYKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2S/c1-13(2)25(3)21(26)18-12-28-20(24-18)15-6-4-5-7-19(15)27-11-14-8-9-16(22)17(23)10-14/h4-10,12-13H,11H2,1-3H3.

What are the key properties of 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?

2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46068237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).