3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one

C18H14FN3O3S — CID 17458719

IUPAC3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCSc2ccccc21
InChIInChI=1S/C18H14FN3O3S/c19-13-7-5-12(6-8-13)17-20-22(18(24)25-17)11-16(23)21-9-10-26-15-4-2-1-3-14(15)21/h1-8H,9-11H2
InChIKeyJUCOTXYZAYCRJR-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.78
Rot. Bonds3

About 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one

3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 17458719) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID17458719
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCSc2ccccc21
InChIInChI=1S/C18H14FN3O3S/c19-13-7-5-12(6-8-13)17-20-22(18(24)25-17)11-16(23)21-9-10-26-15-4-2-1-3-14(15)21/h1-8H,9-11H2
InChIKeyJUCOTXYZAYCRJR-UHFFFAOYSA-N
XLogP2.78
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one 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 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (CID 17458719) is 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCSc2ccccc21.
What is the InChIKey of 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is JUCOTXYZAYCRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-13-7-5-12(6-8-13)17-20-22(18(24)25-17)11-16(23)21-9-10-26-15-4-2-1-3-14(15)21/h1-8H,9-11H2.
What are the key properties of 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 371.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 17458719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).