4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

C21H19F2N3O5S — CID 24648672

About 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (PubChem CID 24648672) has the molecular formula C21H19F2N3O5S and a molecular weight of 463.46 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
• PubChem CID: 24648672
• Molecular Formula: C21H19F2N3O5S
• Molecular Weight: 463.46 g/mol
• Exact Mass: 463.10
• IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
• SMILES: COc1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)cc(OC)c1OCC(N)=O
• InChI: InChI=1S/C21H19F2N3O5S/c1-10-18(11-4-5-13(22)14(23)6-11)25-21(32-10)26-20(28)12-7-15(29-2)19(16(8-12)30-3)31-9-17(24)27/h4-8H,9H2,1-3H3,(H2,24,27)(H,25,26,28)
• InChIKey: DYNUIIJQQFILJT-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 112.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.46
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (CID 24648672) is 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.

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

The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)cc(OC)c1OCC(N)=O.

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

The InChIKey is DYNUIIJQQFILJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O5S/c1-10-18(11-4-5-13(22)14(23)6-11)25-21(32-10)26-20(28)12-7-15(29-2)19(16(8-12)30-3)31-9-17(24)27/h4-8H,9H2,1-3H3,(H2,24,27)(H,25,26,28).

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

4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 463.46 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 24648672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).