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

C14H18N4S — CID 10048629

IUPAC2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
SMILESCN1CCN(C2=NN=C(c3ccccc3)CS2)CC1
InChIInChI=1S/C14H18N4S/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
InChIKeyZJGKJDNWLKBMAF-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.74
Rot. Bonds1

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

2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine (PubChem CID 10048629) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
PubChem CID10048629
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
SMILESCN1CCN(C2=NN=C(c3ccccc3)CS2)CC1
InChIInChI=1S/C14H18N4S/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
InChIKeyZJGKJDNWLKBMAF-UHFFFAOYSA-N
XLogP1.74
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.74
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
2-Morpholino-5-phenyl-6h-1,3,4-thiadiazine
CID 12356178
5-phenyl-2-pyrrolidinyl-6H-1,3,4-thiadiazine
CID 15171029
2-Morpholino-5-phenyl-6h-1,3,4-thiadiazine hydrochloride
CID 17827235
2-Mor-pholino-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 56955895
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;hydrochloride
CID 139225340

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine (CID 10048629) is 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine is CN1CCN(C2=NN=C(c3ccccc3)CS2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine?
The InChIKey is ZJGKJDNWLKBMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/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.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine?
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine has a molecular weight of 274.39 g/mol, XLogP of 1.74, 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 is sourced from PubChem (CID 10048629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).