3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

C19H14FN3OS — CID 7151282

IUPAC3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCc1csc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)cn12
InChIInChI=1S/C19H14FN3OS/c1-12-11-25-19-22-17(10-23(12)19)13-4-3-7-16(9-13)21-18(24)14-5-2-6-15(20)8-14/h2-11H,1H3,(H,21,24)
InChIKeyHXGWWQPTBHASKE-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.76
Rot. Bonds3

About 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (PubChem CID 7151282) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
PubChem CID7151282
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCc1csc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)cn12
InChIInChI=1S/C19H14FN3OS/c1-12-11-25-19-22-17(10-23(12)19)13-4-3-7-16(9-13)21-18(24)14-5-2-6-15(20)8-14/h2-11H,1H3,(H,21,24)
InChIKeyHXGWWQPTBHASKE-UHFFFAOYSA-N
XLogP4.76
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (CID 7151282) is 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is Cc1csc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)cn12.
What is the InChIKey of 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The InChIKey is HXGWWQPTBHASKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-12-11-25-19-22-17(10-23(12)19)13-4-3-7-16(9-13)21-18(24)14-5-2-6-15(20)8-14/h2-11H,1H3,(H,21,24).
What are the key properties of 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 7151282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).