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

C25H21FN2O3S — CID 73168699

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1OC
InChIInChI=1S/C25H21FN2O3S/c1-30-22-12-11-16(13-23(22)31-2)14-24(29)27-20-10-6-4-8-18(20)21-15-32-25(28-21)17-7-3-5-9-19(17)26/h3-13,15H,14H2,1-2H3,(H,27,29)
InChIKeyJEYWDFDZQGSDPA-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.81
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 73168699) has the molecular formula C25H21FN2O3S and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID73168699
Molecular FormulaC25H21FN2O3S
Molecular Weight448.52 g/mol
Exact Mass448.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1OC
InChIInChI=1S/C25H21FN2O3S/c1-30-22-12-11-16(13-23(22)31-2)14-24(29)27-20-10-6-4-8-18(20)21-15-32-25(28-21)17-7-3-5-9-19(17)26/h3-13,15H,14H2,1-2H3,(H,27,29)
InChIKeyJEYWDFDZQGSDPA-UHFFFAOYSA-N
XLogP5.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.81
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-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 73168699) is 2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is JEYWDFDZQGSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3S/c1-30-22-12-11-16(13-23(22)31-2)14-24(29)27-20-10-6-4-8-18(20)21-15-32-25(28-21)17-7-3-5-9-19(17)26/h3-13,15H,14H2,1-2H3,(H,27,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 5.81, 7 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-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 73168699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).