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

C23H21FN4O2S — CID 25282071

IUPACN-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H21FN4O2S/c1-3-30-19-10-6-17(7-11-19)20-14-31-23(25-20)28-21(12-15(2)27-28)26-22(29)13-16-4-8-18(24)9-5-16/h4-12,14H,3,13H2,1-2H3,(H,26,29)
InChIKeyXSJVJCIKECSMOE-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.02
Rot. Bonds7

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

N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 25282071) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID25282071
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC NameN-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H21FN4O2S/c1-3-30-19-10-6-17(7-11-19)20-14-31-23(25-20)28-21(12-15(2)27-28)26-22(29)13-16-4-8-18(24)9-5-16/h4-12,14H,3,13H2,1-2H3,(H,26,29)
InChIKeyXSJVJCIKECSMOE-UHFFFAOYSA-N
XLogP5.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide (CID 25282071) is N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide is CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is XSJVJCIKECSMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-3-30-19-10-6-17(7-11-19)20-14-31-23(25-20)28-21(12-15(2)27-28)26-22(29)13-16-4-8-18(24)9-5-16/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-(4-fluorophenyl)acetamide?
N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 436.51 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 25282071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).