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

C23H21FN4O3S — CID 25282066

IUPACN-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)COc3ccccc3F)n2)cc1
InChIInChI=1S/C23H21FN4O3S/c1-3-30-17-10-8-16(9-11-17)19-14-32-23(25-19)28-21(12-15(2)27-28)26-22(29)13-31-20-7-5-4-6-18(20)24/h4-12,14H,3,13H2,1-2H3,(H,26,29)
InChIKeyGENIEQSDOSEETI-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.86
Rot. Bonds8

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

N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 25282066) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID25282066
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC NameN-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)COc3ccccc3F)n2)cc1
InChIInChI=1S/C23H21FN4O3S/c1-3-30-17-10-8-16(9-11-17)19-14-32-23(25-19)28-21(12-15(2)27-28)26-22(29)13-31-20-7-5-4-6-18(20)24/h4-12,14H,3,13H2,1-2H3,(H,26,29)
InChIKeyGENIEQSDOSEETI-UHFFFAOYSA-N
XLogP4.86
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide (CID 25282066) is N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide is CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)COc3ccccc3F)n2)cc1.
What is the InChIKey of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is GENIEQSDOSEETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-3-30-17-10-8-16(9-11-17)19-14-32-23(25-19)28-21(12-15(2)27-28)26-22(29)13-31-20-7-5-4-6-18(20)24/h4-12,14H,3,13H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 452.51 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 25282066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).