5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine

C13H15FN4S — CID 45496777

IUPAC5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine
SMILESFc1ccc(C2=NN=C(N3CCNCC3)SC2)cc1
InChIInChI=1S/C13H15FN4S/c14-11-3-1-10(2-4-11)12-9-19-13(17-16-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2
InChIKeyQWMYLLLDOYLDHC-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.54
Rot. Bonds1

About 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine

5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine (PubChem CID 45496777) has the molecular formula C13H15FN4S and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine
PubChem CID45496777
Molecular FormulaC13H15FN4S
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC Name5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine
SMILESFc1ccc(C2=NN=C(N3CCNCC3)SC2)cc1
InChIInChI=1S/C13H15FN4S/c14-11-3-1-10(2-4-11)12-9-19-13(17-16-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2
InChIKeyQWMYLLLDOYLDHC-UHFFFAOYSA-N
XLogP1.54
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine 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 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine?
The IUPAC name of 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine (CID 45496777) is 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine.
What is the SMILES notation for 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine?
The canonical SMILES for 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine is Fc1ccc(C2=NN=C(N3CCNCC3)SC2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine?
The InChIKey is QWMYLLLDOYLDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4S/c14-11-3-1-10(2-4-11)12-9-19-13(17-16-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2.
What are the key properties of 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine?
5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine has a molecular weight of 278.36 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine is sourced from PubChem (CID 45496777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).