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

C13H12FN3O2S2 — CID 110872199

IUPAC4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2csc3nccn23)ccc1F
InChIInChI=1S/C13H12FN3O2S2/c1-9-6-11(2-3-12(9)14)21(18,19)16-7-10-8-20-13-15-4-5-17(10)13/h2-6,8,16H,7H2,1H3
InChIKeyVXSMUVLNCYSJBA-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.32
Rot. Bonds4

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

4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide (PubChem CID 110872199) has the molecular formula C13H12FN3O2S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide
PubChem CID110872199
Molecular FormulaC13H12FN3O2S2
Molecular Weight325.39 g/mol
Exact Mass325.04
IUPAC Name4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2csc3nccn23)ccc1F
InChIInChI=1S/C13H12FN3O2S2/c1-9-6-11(2-3-12(9)14)21(18,19)16-7-10-8-20-13-15-4-5-17(10)13/h2-6,8,16H,7H2,1H3
InChIKeyVXSMUVLNCYSJBA-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

Analyze 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)ethanesulfonamide
CID 110872189
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 53163241
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110728008
4-fluoro-3-methyl-N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]benzenesulfonamide
CID 110402014
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869633
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide (CID 110872199) is 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCc2csc3nccn23)ccc1F.
What is the InChIKey of 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide?
The InChIKey is VXSMUVLNCYSJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S2/c1-9-6-11(2-3-12(9)14)21(18,19)16-7-10-8-20-13-15-4-5-17(10)13/h2-6,8,16H,7H2,1H3.
What are the key properties of 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide?
4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide 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 4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 110872199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).