[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C14H14FN3O3S2 — CID 168677053

IUPAC[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C14H14FN3O3S2/c15-23(20,21)8-9-5-13(19)18(7-9)10-1-2-12-11(6-10)17-4-3-16-14(17)22-12/h1-2,6,9H,3-5,7-8H2
InChIKeyUFVFHIPWJAAGTJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.62
Rot. Bonds3

About [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677053) has the molecular formula C14H14FN3O3S2 and a molecular weight of 355.42 g/mol. Its IUPAC name is [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677053
Molecular FormulaC14H14FN3O3S2
Molecular Weight355.42 g/mol
Exact Mass355.05
IUPAC Name[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C14H14FN3O3S2/c15-23(20,21)8-9-5-13(19)18(7-9)10-1-2-12-11(6-10)17-4-3-16-14(17)22-12/h1-2,6,9H,3-5,7-8H2
InChIKeyUFVFHIPWJAAGTJ-UHFFFAOYSA-N
XLogP1.62
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride 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 [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677053) is [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UFVFHIPWJAAGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S2/c15-23(20,21)8-9-5-13(19)18(7-9)10-1-2-12-11(6-10)17-4-3-16-14(17)22-12/h1-2,6,9H,3-5,7-8H2.
What are the key properties of [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 355.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).