3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole

C12H14N4S — CID 2777760

IUPAC3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESc1ccc(-c2nsc(N3CCNCC3)n2)cc1
InChIInChI=1S/C12H14N4S/c1-2-4-10(5-3-1)11-14-12(17-15-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2
InChIKeyUMFMHSLRNJBGKO-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.61
Rot. Bonds2

About 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole

3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole (PubChem CID 2777760) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole
PubChem CID2777760
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESc1ccc(-c2nsc(N3CCNCC3)n2)cc1
InChIInChI=1S/C12H14N4S/c1-2-4-10(5-3-1)11-14-12(17-15-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2
InChIKeyUMFMHSLRNJBGKO-UHFFFAOYSA-N
XLogP1.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole (CID 2777760) is 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole is c1ccc(-c2nsc(N3CCNCC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The InChIKey is UMFMHSLRNJBGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-4-10(5-3-1)11-14-12(17-15-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2.
What are the key properties of 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole?
3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole has a molecular weight of 246.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 2777760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).