2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

C18H12FN3OS — CID 90625740

IUPAC2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccccc1F
InChIInChI=1S/C18H12FN3OS/c19-14-7-3-1-5-12(14)17(23)20-15-8-4-2-6-13(15)16-11-22-9-10-24-18(22)21-16/h1-11H,(H,20,23)
InChIKeyVLOAEHXNEMHYCK-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.45
Rot. Bonds3

About 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (PubChem CID 90625740) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
PubChem CID90625740
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccccc1F
InChIInChI=1S/C18H12FN3OS/c19-14-7-3-1-5-12(14)17(23)20-15-8-4-2-6-13(15)16-11-22-9-10-24-18(22)21-16/h1-11H,(H,20,23)
InChIKeyVLOAEHXNEMHYCK-UHFFFAOYSA-N
XLogP4.45
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (CID 90625740) is 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The InChIKey is VLOAEHXNEMHYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-14-7-3-1-5-12(14)17(23)20-15-8-4-2-6-13(15)16-11-22-9-10-24-18(22)21-16/h1-11H,(H,20,23).
What are the key properties of 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is sourced from PubChem (CID 90625740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).