5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide

C14H18BrFN4S — CID 139225348

IUPAC5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.CN1CCN(C2=NN=C(c3ccc(F)cc3)CS2)CC1
InChIInChI=1S/C14H17FN4S.BrH/c1-18-6-8-19(9-7-18)14-17-16-13(10-20-14)11-2-4-12(15)5-3-11;/h2-5H,6-10H2,1H3;1H
InChIKeyKCPJLOCNCLXNRT-UHFFFAOYSA-N
MW373.30 g/mol
LogP2.46
Rot. Bonds1

About 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide

5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide (PubChem CID 139225348) has the molecular formula C14H18BrFN4S and a molecular weight of 373.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
PubChem CID139225348
Molecular FormulaC14H18BrFN4S
Molecular Weight373.30 g/mol
Exact Mass372.04
IUPAC Name5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.CN1CCN(C2=NN=C(c3ccc(F)cc3)CS2)CC1
InChIInChI=1S/C14H17FN4S.BrH/c1-18-6-8-19(9-7-18)14-17-16-13(10-20-14)11-2-4-12(15)5-3-11;/h2-5H,6-10H2,1H3;1H
InChIKeyKCPJLOCNCLXNRT-UHFFFAOYSA-N
XLogP2.46
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Morpholino-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225332
2-Piperidino-5-(4-fluorphenyl)-6H-1,3,4-thiadiazine
CID 139225331
2-(N-Methyl-piperazino)-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225333
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225339
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
CID 10048629
5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
CID 10391783
2-Thiomorpholin-4-yl-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 129870331
2-Thiomorpholin-4-yl-5-(4'-fluorophenyl)-6h-1,3,4-thiadiazine hydrobromide
CID 129870446
5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225335
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225338
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225344
5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225345

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide?
The IUPAC name of 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide (CID 139225348) is 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide?
The canonical SMILES for 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide is Br.CN1CCN(C2=NN=C(c3ccc(F)cc3)CS2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide?
The InChIKey is KCPJLOCNCLXNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4S.BrH/c1-18-6-8-19(9-7-18)14-17-16-13(10-20-14)11-2-4-12(15)5-3-11;/h2-5H,6-10H2,1H3;1H.
What are the key properties of 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide?
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide has a molecular weight of 373.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide is sourced from PubChem (CID 139225348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).