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

C14H18Br2N4S — CID 139225345

IUPAC5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.CN1CCN(C2=NN=C(c3ccc(Br)cc3)CS2)CC1
InChIInChI=1S/C14H17BrN4S.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
InChIKeyONPSNTKVYPOQQM-UHFFFAOYSA-N
MW434.20 g/mol
LogP3.08
Rot. Bonds1

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

5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide (PubChem CID 139225345) has the molecular formula C14H18Br2N4S and a molecular weight of 434.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
PubChem CID139225345
Molecular FormulaC14H18Br2N4S
Molecular Weight434.20 g/mol
Exact Mass431.96
IUPAC Name5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.CN1CCN(C2=NN=C(c3ccc(Br)cc3)CS2)CC1
InChIInChI=1S/C14H17BrN4S.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
InChIKeyONPSNTKVYPOQQM-UHFFFAOYSA-N
XLogP3.08
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-Methyl-piperazino)-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225333
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
5(4'-Bromophenyl)-2-thiomorpholin-4-yl-6h-1,3,4-thiadiazine hydrobromide
CID 129870441
6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
CID 135052694
5-(4-bromophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225336
5-(4-bromophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225337
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225344
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225348
5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
CID 15549664
2-(azepan-1-yl)-5-(4-bromophenyl)-6H-1,3,4-thiadiazine
CID 18356928
(Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
CID 7346416

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide?
The IUPAC name of 5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide (CID 139225345) is 5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide.
What is the SMILES notation for 5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide?
The canonical SMILES for 5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide is Br.CN1CCN(C2=NN=C(c3ccc(Br)cc3)CS2)CC1.
What is the InChIKey of 5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide?
The InChIKey is ONPSNTKVYPOQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S.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-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide?
5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide has a molecular weight of 434.20 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide is sourced from PubChem (CID 139225345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).