2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

C15H18N4OS3 — CID 1266194

IUPAC2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCSc1nsc(SCC(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C15H18N4OS3/c1-21-14-16-15(23-17-14)22-11-13(20)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyQGTDFRMGYLGIDC-UHFFFAOYSA-N
MW366.54 g/mol
LogP2.70
Rot. Bonds5

About 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 1266194) has the molecular formula C15H18N4OS3 and a molecular weight of 366.54 g/mol. Its IUPAC name is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID1266194
Molecular FormulaC15H18N4OS3
Molecular Weight366.54 g/mol
Exact Mass366.06
IUPAC Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCSc1nsc(SCC(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C15H18N4OS3/c1-21-14-16-15(23-17-14)22-11-13(20)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyQGTDFRMGYLGIDC-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.54
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 1266194) is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is CSc1nsc(SCC(=O)N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is QGTDFRMGYLGIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS3/c1-21-14-16-15(23-17-14)22-11-13(20)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 366.54 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1266194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).