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

C12H10FN3O2S2 — CID 23603667

IUPAC4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn2ccsc2n1)c1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2S2/c13-9-1-3-11(4-2-9)20(17,18)14-7-10-8-16-5-6-19-12(16)15-10/h1-6,8,14H,7H2
InChIKeyOWCFAZFONDVRGC-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.01
Rot. Bonds4

About 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide

4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide (PubChem CID 23603667) has the molecular formula C12H10FN3O2S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
PubChem CID23603667
Molecular FormulaC12H10FN3O2S2
Molecular Weight311.36 g/mol
Exact Mass311.02
IUPAC Name4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn2ccsc2n1)c1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2S2/c13-9-1-3-11(4-2-9)20(17,18)14-7-10-8-16-5-6-19-12(16)15-10/h1-6,8,14H,7H2
InChIKeyOWCFAZFONDVRGC-UHFFFAOYSA-N
XLogP2.01
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-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 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide (CID 23603667) is 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cn2ccsc2n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
The InChIKey is OWCFAZFONDVRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S2/c13-9-1-3-11(4-2-9)20(17,18)14-7-10-8-16-5-6-19-12(16)15-10/h1-6,8,14H,7H2.
What are the key properties of 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide?
4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 23603667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).