6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H9ClFN3O2S2 — CID 60814131

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H9ClFN3O2S2/c13-10-11(17-5-6-20-12(17)16-10)21(18,19)15-7-8-1-3-9(14)4-2-8/h1-6,15H,7H2
InChIKeyPHJIIQDVEAKSNF-UHFFFAOYSA-N
MW345.81 g/mol
LogP2.67
Rot. Bonds4

About 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60814131) has the molecular formula C12H9ClFN3O2S2 and a molecular weight of 345.81 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60814131
Molecular FormulaC12H9ClFN3O2S2
Molecular Weight345.81 g/mol
Exact Mass344.98
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H9ClFN3O2S2/c13-10-11(17-5-6-20-12(17)16-10)21(18,19)15-7-8-1-3-9(14)4-2-8/h1-6,15H,7H2
InChIKeyPHJIIQDVEAKSNF-UHFFFAOYSA-N
XLogP2.67
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60902472
N-(2-bromo-4-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814310
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115989532
6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812798
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 60814143
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65107340
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115610829
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 2738191
6-chloro-N-(2-ethoxypropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115650694
6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61247733

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60814131) is 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is PHJIIQDVEAKSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2S2/c13-10-11(17-5-6-20-12(17)16-10)21(18,19)15-7-8-1-3-9(14)4-2-8/h1-6,15H,7H2.
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 345.81 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60814131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).