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

C19H20N4O2S2 — CID 2809274

IUPAC5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1
InChIInChI=1S/C19H20N4O2S2/c1-15-7-9-17(10-8-15)27(24,25)23-13-11-22(12-14-23)19-20-18(21-26-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyQRJGTNIIACIEGO-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.02
Rot. Bonds4

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

5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole (PubChem CID 2809274) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
PubChem CID2809274
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC Name5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1
InChIInChI=1S/C19H20N4O2S2/c1-15-7-9-17(10-8-15)27(24,25)23-13-11-22(12-14-23)19-20-18(21-26-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyQRJGTNIIACIEGO-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole (CID 2809274) is 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole is Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The InChIKey is QRJGTNIIACIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-15-7-9-17(10-8-15)27(24,25)23-13-11-22(12-14-23)19-20-18(21-26-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3.
What are the key properties of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole?
5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole has a molecular weight of 400.53 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 2809274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).