5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole

C9H15N5S — CID 66196214

IUPAC5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole
SMILESc1nsc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C9H15N5S/c1-3-13(4-2-10-1)8-5-14(6-8)9-11-7-12-15-9/h7-8,10H,1-6H2
InChIKeyXOBNYPXFEONFBC-UHFFFAOYSA-N
MW225.32 g/mol
LogP-0.37
Rot. Bonds2

About 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole

5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole (PubChem CID 66196214) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole
PubChem CID66196214
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole
SMILESc1nsc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C9H15N5S/c1-3-13(4-2-10-1)8-5-14(6-8)9-11-7-12-15-9/h7-8,10H,1-6H2
InChIKeyXOBNYPXFEONFBC-UHFFFAOYSA-N
XLogP-0.37
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole (CID 66196214) is 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole is c1nsc(N2CC(N3CCNCC3)C2)n1.
What is the InChIKey of 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is XOBNYPXFEONFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-3-13(4-2-10-1)8-5-14(6-8)9-11-7-12-15-9/h7-8,10H,1-6H2.
What are the key properties of 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole?
5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 225.32 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 66196214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).