2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide

C21H21FN2O3S — CID 7518532

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OC
InChIInChI=1S/C21H21FN2O3S/c1-26-18-7-6-14(10-19(18)27-2)11-20(25)23-9-8-17-13-28-21(24-17)15-4-3-5-16(22)12-15/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,23,25)
InChIKeyXMCUASAOJDGFRL-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.87
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 7518532) has the molecular formula C21H21FN2O3S and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID7518532
Molecular FormulaC21H21FN2O3S
Molecular Weight400.48 g/mol
Exact Mass400.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OC
InChIInChI=1S/C21H21FN2O3S/c1-26-18-7-6-14(10-19(18)27-2)11-20(25)23-9-8-17-13-28-21(24-17)15-4-3-5-16(22)12-15/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,23,25)
InChIKeyXMCUASAOJDGFRL-UHFFFAOYSA-N
XLogP3.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide (CID 7518532) is 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide is COc1ccc(CC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is XMCUASAOJDGFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3S/c1-26-18-7-6-14(10-19(18)27-2)11-20(25)23-9-8-17-13-28-21(24-17)15-4-3-5-16(22)12-15/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,23,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 7518532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).