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

C14H19BrN4S — CID 139225344

IUPAC2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.CN1CCN(C2=NN=C(c3ccccc3)CS2)CC1
InChIInChI=1S/C14H18N4S.BrH/c1-17-7-9-18(10-8-17)14-16-15-13(11-19-14)12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H
InChIKeyFZNKHELCGPVSDZ-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.32
Rot. Bonds1

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

2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide (PubChem CID 139225344) has the molecular formula C14H19BrN4S and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
PubChem CID139225344
Molecular FormulaC14H19BrN4S
Molecular Weight355.31 g/mol
Exact Mass354.05
IUPAC Name2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.CN1CCN(C2=NN=C(c3ccccc3)CS2)CC1
InChIInChI=1S/C14H18N4S.BrH/c1-17-7-9-18(10-8-17)14-16-15-13(11-19-14)12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H
InChIKeyFZNKHELCGPVSDZ-UHFFFAOYSA-N
XLogP2.32
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-phenyl-2-pyrrolidinyl-6H-1,3,4-thiadiazine
CID 15171029
2-Mor-pholino-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 56955895
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
N,N-dimethyl-5,6-diphenyl-6H-1,3,4-thiadiazin-2-amine
CID 12332475
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-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225341
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 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide (CID 139225344) is 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide is Br.CN1CCN(C2=NN=C(c3ccccc3)CS2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide?
The InChIKey is FZNKHELCGPVSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S.BrH/c1-17-7-9-18(10-8-17)14-16-15-13(11-19-14)12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide?
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide has a molecular weight of 355.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide is sourced from PubChem (CID 139225344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).