methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate

C20H17FN2O4S — CID 55873263

About methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate

methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate (PubChem CID 55873263) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate.

Molecular Properties

• Compound Name: methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
• PubChem CID: 55873263
• Molecular Formula: C20H17FN2O4S
• Molecular Weight: 400.43 g/mol
• Exact Mass: 400.09
• IUPAC Name: methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
• SMILES: COC(=O)COc1cccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1
• InChI: InChI=1S/C20H17FN2O4S/c1-26-18(24)12-27-16-7-3-5-14(10-16)19(25)23-20-22-11-17(28-20)9-13-4-2-6-15(21)8-13/h2-8,10-11H,9,12H2,1H3,(H,22,23,25)
• InChIKey: SYIJVZOTPXBVQL-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.43
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate?

The IUPAC name of methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate (CID 55873263) is methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate.

What is the SMILES notation for methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate?

The canonical SMILES for methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate is COC(=O)COc1cccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1.

What is the InChIKey of methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate?

The InChIKey is SYIJVZOTPXBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c1-26-18(24)12-27-16-7-3-5-14(10-16)19(25)23-20-22-11-17(28-20)9-13-4-2-6-15(21)8-13/h2-8,10-11H,9,12H2,1H3,(H,22,23,25).

What are the key properties of methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate?

methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate has a molecular weight of 400.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate is sourced from PubChem (CID 55873263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).