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

C13H12FN3O2S2 — CID 23603681

IUPAC3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1csc2nc(CNS(=O)(=O)c3cccc(F)c3)cn12
InChIInChI=1S/C13H12FN3O2S2/c1-9-8-20-13-16-11(7-17(9)13)6-15-21(18,19)12-4-2-3-10(14)5-12/h2-5,7-8,15H,6H2,1H3
InChIKeyHFYUQULGBTYFFJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.32
Rot. Bonds4

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

3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide (PubChem CID 23603681) has the molecular formula C13H12FN3O2S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
PubChem CID23603681
Molecular FormulaC13H12FN3O2S2
Molecular Weight325.39 g/mol
Exact Mass325.04
IUPAC Name3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1csc2nc(CNS(=O)(=O)c3cccc(F)c3)cn12
InChIInChI=1S/C13H12FN3O2S2/c1-9-8-20-13-16-11(7-17(9)13)6-15-21(18,19)12-4-2-3-10(14)5-12/h2-5,7-8,15H,6H2,1H3
InChIKeyHFYUQULGBTYFFJ-UHFFFAOYSA-N
XLogP2.32
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide (CID 23603681) is 3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide is Cc1csc2nc(CNS(=O)(=O)c3cccc(F)c3)cn12.
What is the InChIKey of 3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The InChIKey is HFYUQULGBTYFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S2/c1-9-8-20-13-16-11(7-17(9)13)6-15-21(18,19)12-4-2-3-10(14)5-12/h2-5,7-8,15H,6H2,1H3.
What are the key properties of 3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 23603681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).