2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

C23H21FN4O2S — CID 51115726

IUPAC2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1sc(=O)n(CC(=O)NCc2cccc(Cn3ccnc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2S/c1-16-22(19-5-7-20(24)8-6-19)28(23(30)31-16)14-21(29)26-12-17-3-2-4-18(11-17)13-27-10-9-25-15-27/h2-11,15H,12-14H2,1H3,(H,26,29)
InChIKeyOFGDFXWZZODKIC-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.59
Rot. Bonds7

About 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 51115726) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID51115726
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1sc(=O)n(CC(=O)NCc2cccc(Cn3ccnc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2S/c1-16-22(19-5-7-20(24)8-6-19)28(23(30)31-16)14-21(29)26-12-17-3-2-4-18(11-17)13-27-10-9-25-15-27/h2-11,15H,12-14H2,1H3,(H,26,29)
InChIKeyOFGDFXWZZODKIC-UHFFFAOYSA-N
XLogP3.59
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (CID 51115726) is 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is Cc1sc(=O)n(CC(=O)NCc2cccc(Cn3ccnc3)c2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is OFGDFXWZZODKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-16-22(19-5-7-20(24)8-6-19)28(23(30)31-16)14-21(29)26-12-17-3-2-4-18(11-17)13-27-10-9-25-15-27/h2-11,15H,12-14H2,1H3,(H,26,29).
What are the key properties of 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 51115726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).