[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

C18H16FN3O3S — CID 1071262

IUPAC[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C18H16FN3O3S/c19-14-7-5-13(6-8-14)18(23)22-11-9-21(10-12-22)17-15-3-1-2-4-16(15)26(24,25)20-17/h1-8H,9-12H2
InChIKeyIIEAWSOZVSZOCX-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.73
Rot. Bonds1

About [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 1071262) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID1071262
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C18H16FN3O3S/c19-14-7-5-13(6-8-14)18(23)22-11-9-21(10-12-22)17-15-3-1-2-4-16(15)26(24,25)20-17/h1-8H,9-12H2
InChIKeyIIEAWSOZVSZOCX-UHFFFAOYSA-N
XLogP1.73
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 1071262) is [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is IIEAWSOZVSZOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-14-7-5-13(6-8-14)18(23)22-11-9-21(10-12-22)17-15-3-1-2-4-16(15)26(24,25)20-17/h1-8H,9-12H2.
What are the key properties of [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 373.41 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 1071262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).