N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C21H14FN5O2S — CID 47008613

IUPACN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C21H14FN5O2S/c22-13-7-5-12(6-8-13)18-19(27-9-10-30-21(27)24-18)23-17(28)11-16-14-3-1-2-4-15(14)20(29)26-25-16/h1-10H,11H2,(H,23,28)(H,26,29)
InChIKeyFNTBMZQIBOEUHL-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.62
Rot. Bonds4

About N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 47008613) has the molecular formula C21H14FN5O2S and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID47008613
Molecular FormulaC21H14FN5O2S
Molecular Weight419.44 g/mol
Exact Mass419.09
IUPAC NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C21H14FN5O2S/c22-13-7-5-12(6-8-13)18-19(27-9-10-30-21(27)24-18)23-17(28)11-16-14-3-1-2-4-15(14)20(29)26-25-16/h1-10H,11H2,(H,23,28)(H,26,29)
InChIKeyFNTBMZQIBOEUHL-UHFFFAOYSA-N
XLogP3.62
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 47008613) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1c(-c2ccc(F)cc2)nc2sccn12.
What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is FNTBMZQIBOEUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O2S/c22-13-7-5-12(6-8-13)18-19(27-9-10-30-21(27)24-18)23-17(28)11-16-14-3-1-2-4-15(14)20(29)26-25-16/h1-10H,11H2,(H,23,28)(H,26,29).
What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 419.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 47008613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).