2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide

C12H9F2N3O2S2 — CID 23603664

IUPAC2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn2ccsc2n1)c1cc(F)ccc1F
InChIInChI=1S/C12H9F2N3O2S2/c13-8-1-2-10(14)11(5-8)21(18,19)15-6-9-7-17-3-4-20-12(17)16-9/h1-5,7,15H,6H2
InChIKeyAKUHDRFRYUBGLE-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.15
Rot. Bonds4

About 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide

2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide (PubChem CID 23603664) has the molecular formula C12H9F2N3O2S2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
PubChem CID23603664
Molecular FormulaC12H9F2N3O2S2
Molecular Weight329.35 g/mol
Exact Mass329.01
IUPAC Name2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn2ccsc2n1)c1cc(F)ccc1F
InChIInChI=1S/C12H9F2N3O2S2/c13-8-1-2-10(14)11(5-8)21(18,19)15-6-9-7-17-3-4-20-12(17)16-9/h1-5,7,15H,6H2
InChIKeyAKUHDRFRYUBGLE-UHFFFAOYSA-N
XLogP2.15
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide (CID 23603664) is 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cn2ccsc2n1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
The InChIKey is AKUHDRFRYUBGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2S2/c13-8-1-2-10(14)11(5-8)21(18,19)15-6-9-7-17-3-4-20-12(17)16-9/h1-5,7,15H,6H2.
What are the key properties of 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide has a molecular weight of 329.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 23603664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).