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Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate

C20H14FN3O3S — CID 42269966

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C20H14FN3O3S/c1-27-19(26)13-4-8-15(9-5-13)22-18(25)17-11-28-20-23-16(10-24(17)20)12-2-6-14(21)7-3-12/h2-11H,1H3,(H,22,25)
InChIKeyRYVZBKJOHVTKDE-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.24
Rot. Bonds4

About Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate

Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate (PubChem CID 42269966) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound NameMethyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
PubChem CID42269966
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Namemethyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C20H14FN3O3S/c1-27-19(26)13-4-8-15(9-5-13)22-18(25)17-11-28-20-23-16(10-24(17)20)12-2-6-14(21)7-3-12/h2-11H,1H3,(H,22,25)
InChIKeyRYVZBKJOHVTKDE-UHFFFAOYSA-N
XLogP4.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate?
The IUPAC name of Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate (CID 42269966) is methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate?
The canonical SMILES for Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)cc1.
What is the InChIKey of Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate?
The InChIKey is RYVZBKJOHVTKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c1-27-19(26)13-4-8-15(9-5-13)22-18(25)17-11-28-20-23-16(10-24(17)20)12-2-6-14(21)7-3-12/h2-11H,1H3,(H,22,25).
What are the key properties of Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate?
Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate has a molecular weight of 395.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 42269966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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