2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine

C20H22N4S — CID 139225353

IUPAC2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine
SMILESCN1CCN(C2=NN=C(c3ccccc3)C(c3ccccc3)S2)CC1
InChIInChI=1S/C20H22N4S/c1-23-12-14-24(15-13-23)20-22-21-18(16-8-4-2-5-9-16)19(25-20)17-10-6-3-7-11-17/h2-11,19H,12-15H2,1H3
InChIKeyNJRTXYSMFJWSJB-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.48
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine

2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine (PubChem CID 139225353) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine
PubChem CID139225353
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine
SMILESCN1CCN(C2=NN=C(c3ccccc3)C(c3ccccc3)S2)CC1
InChIInChI=1S/C20H22N4S/c1-23-12-14-24(15-13-23)20-22-21-18(16-8-4-2-5-9-16)19(25-20)17-10-6-3-7-11-17/h2-11,19H,12-15H2,1H3
InChIKeyNJRTXYSMFJWSJB-UHFFFAOYSA-N
XLogP3.48
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.48
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
(E)-3-phenyl-1-(4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl)prop-2-en-1-one hydrochloride
CID 71781038
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-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225344
5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
CID 139225347
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225348
2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine;hydrochloride
CID 139225352
5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225356

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine (CID 139225353) is 2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine is CN1CCN(C2=NN=C(c3ccccc3)C(c3ccccc3)S2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine?
The InChIKey is NJRTXYSMFJWSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-23-12-14-24(15-13-23)20-22-21-18(16-8-4-2-5-9-16)19(25-20)17-10-6-3-7-11-17/h2-11,19H,12-15H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine?
2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine has a molecular weight of 350.49 g/mol, XLogP of 3.48, 2 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)-5,6-diphenyl-6H-1,3,4-thiadiazine is sourced from PubChem (CID 139225353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).