2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide

C22H23FN2O2S — CID 7216480

IUPAC2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1
InChIInChI=1S/C22H23FN2O2S/c1-3-27-19-9-7-16(8-10-19)13-21(26)24-12-11-20-15(2)25-22(28-20)17-5-4-6-18(23)14-17/h4-10,14H,3,11-13H2,1-2H3,(H,24,26)
InChIKeyFPHMXCVQEGDUSH-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.56
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide

2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide (PubChem CID 7216480) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
PubChem CID7216480
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC Name2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1
InChIInChI=1S/C22H23FN2O2S/c1-3-27-19-9-7-16(8-10-19)13-21(26)24-12-11-20-15(2)25-22(28-20)17-5-4-6-18(23)14-17/h4-10,14H,3,11-13H2,1-2H3,(H,24,26)
InChIKeyFPHMXCVQEGDUSH-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide (CID 7216480) is 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide is CCOc1ccc(CC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The InChIKey is FPHMXCVQEGDUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-3-27-19-9-7-16(8-10-19)13-21(26)24-12-11-20-15(2)25-22(28-20)17-5-4-6-18(23)14-17/h4-10,14H,3,11-13H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 7216480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).