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

C13H12FN3O3S2 — CID 168715456

IUPAC1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C13H12FN3O3S2/c14-22(19,20)9-6-12(18)17(7-9)8-1-2-11-10(5-8)16-4-3-15-13(16)21-11/h1-2,5,9H,3-4,6-7H2
InChIKeyFUVZVOUFCZRJIA-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.37
Rot. Bonds2

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

1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715456) has the molecular formula C13H12FN3O3S2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715456
Molecular FormulaC13H12FN3O3S2
Molecular Weight341.39 g/mol
Exact Mass341.03
IUPAC Name1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C13H12FN3O3S2/c14-22(19,20)9-6-12(18)17(7-9)8-1-2-11-10(5-8)16-4-3-15-13(16)21-11/h1-2,5,9H,3-4,6-7H2
InChIKeyFUVZVOUFCZRJIA-UHFFFAOYSA-N
XLogP1.37
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4095623
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CID 4145574
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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715456) is 1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=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-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is FUVZVOUFCZRJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S2/c14-22(19,20)9-6-12(18)17(7-9)8-1-2-11-10(5-8)16-4-3-15-13(16)21-11/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 341.39 g/mol, XLogP of 1.37, 2 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-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).