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

C20H19FN2O2S — CID 2102510

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)Cc3ccccc3F)sc2C)cc1
InChIInChI=1S/C20H19FN2O2S/c1-3-25-16-10-8-14(9-11-16)19-13(2)26-20(23-19)22-18(24)12-15-6-4-5-7-17(15)21/h4-11H,3,12H2,1-2H3,(H,22,23,24)
InChIKeyAZQGGDQVUNURMJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.84
Rot. Bonds6

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

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 2102510) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
PubChem CID2102510
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)Cc3ccccc3F)sc2C)cc1
InChIInChI=1S/C20H19FN2O2S/c1-3-25-16-10-8-14(9-11-16)19-13(2)26-20(23-19)22-18(24)12-15-6-4-5-7-17(15)21/h4-11H,3,12H2,1-2H3,(H,22,23,24)
InChIKeyAZQGGDQVUNURMJ-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide (CID 2102510) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide is CCOc1ccc(-c2nc(NC(=O)Cc3ccccc3F)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is AZQGGDQVUNURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-3-25-16-10-8-14(9-11-16)19-13(2)26-20(23-19)22-18(24)12-15-6-4-5-7-17(15)21/h4-11H,3,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2102510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).