2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C23H24FN3O2S — CID 24978787

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C23H24FN3O2S/c1-13-9-14(2)22(15(3)10-13)27-21(29)12-25-20(28)11-19-23(26-16(4)30-19)17-5-7-18(24)8-6-17/h5-10H,11-12H2,1-4H3,(H,25,28)(H,27,29)
InChIKeyRRZSXKVXFJSJEH-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.48
Rot. Bonds6

About 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 24978787) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID24978787
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C23H24FN3O2S/c1-13-9-14(2)22(15(3)10-13)27-21(29)12-25-20(28)11-19-23(26-16(4)30-19)17-5-7-18(24)8-6-17/h5-10H,11-12H2,1-4H3,(H,25,28)(H,27,29)
InChIKeyRRZSXKVXFJSJEH-UHFFFAOYSA-N
XLogP4.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 24978787) is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CNC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is RRZSXKVXFJSJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-13-9-14(2)22(15(3)10-13)27-21(29)12-25-20(28)11-19-23(26-16(4)30-19)17-5-7-18(24)8-6-17/h5-10H,11-12H2,1-4H3,(H,25,28)(H,27,29).
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 24978787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).