N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide

C13H14FN3O2S2 — CID 7640542

IUPACN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1cn2c(n1)SCC2)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O2S2/c14-10-2-1-3-12(8-10)21(18,19)15-5-4-11-9-17-6-7-20-13(17)16-11/h1-3,8-9,15H,4-7H2
InChIKeyXZFKVWPQIGZPSD-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 7640542) has the molecular formula C13H14FN3O2S2 and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID7640542
Molecular FormulaC13H14FN3O2S2
Molecular Weight327.41 g/mol
Exact Mass327.05
IUPAC NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1cn2c(n1)SCC2)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O2S2/c14-10-2-1-3-12(8-10)21(18,19)15-5-4-11-9-17-6-7-20-13(17)16-11/h1-3,8-9,15H,4-7H2
InChIKeyXZFKVWPQIGZPSD-UHFFFAOYSA-N
XLogP1.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 7640538
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 7640563
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-2-phenylethanesulfonamide
CID 7640568
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide
CID 90571042
(2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide
CID 126434486
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231599

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide (CID 7640542) is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCCc1cn2c(n1)SCC2)c1cccc(F)c1.
What is the InChIKey of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is XZFKVWPQIGZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S2/c14-10-2-1-3-12(8-10)21(18,19)15-5-4-11-9-17-6-7-20-13(17)16-11/h1-3,8-9,15H,4-7H2.
What are the key properties of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide?
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 7640542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).