5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole

C17H24N6O2S2 — CID 133310556

IUPAC5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESCN1CCN(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)CC1
InChIInChI=1S/C17H24N6O2S2/c1-20-7-11-22(12-8-20)27(24,25)23-13-9-21(10-14-23)17-18-16(19-26-17)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyZBEDEVLHVKADPV-UHFFFAOYSA-N
MW408.55 g/mol
LogP0.82
Rot. Bonds4

About 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole

5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole (PubChem CID 133310556) has the molecular formula C17H24N6O2S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
PubChem CID133310556
Molecular FormulaC17H24N6O2S2
Molecular Weight408.55 g/mol
Exact Mass408.14
IUPAC Name5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESCN1CCN(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)CC1
InChIInChI=1S/C17H24N6O2S2/c1-20-7-11-22(12-8-20)27(24,25)23-13-9-21(10-14-23)17-18-16(19-26-17)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyZBEDEVLHVKADPV-UHFFFAOYSA-N
XLogP0.82
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide
CID 133484684
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 102284424
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 6733956
2-methoxy-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317995
2-methyl-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-one
CID 142080060
3-(4-methylphenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71204247
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
CID 18346888
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581
3-phenyl-5-[4-(3-phenylprop-2-ynyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 68528255
(3,4-dimethoxyphenyl)-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133329934
2-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]benzoic acid
CID 69297209
1-(2,3-dihydroindol-1-yl)-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317706

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole (CID 133310556) is 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole is CN1CCN(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The InChIKey is ZBEDEVLHVKADPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S2/c1-20-7-11-22(12-8-20)27(24,25)23-13-9-21(10-14-23)17-18-16(19-26-17)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole has a molecular weight of 408.55 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 133310556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).