2-piperazin-1-yl-1,3-thiazole

C7H11N3S — CID 911806

IUPAC2-piperazin-1-yl-1,3-thiazole
SMILESc1csc(N2CCNCC2)n1
InChIInChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2
InChIKeyWQFWIVTXNKRNJZ-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.55
Rot. Bonds1

About 2-piperazin-1-yl-1,3-thiazole

2-piperazin-1-yl-1,3-thiazole (PubChem CID 911806) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-1,3-thiazole
PubChem CID911806
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-piperazin-1-yl-1,3-thiazole
SMILESc1csc(N2CCNCC2)n1
InChIInChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2
InChIKeyWQFWIVTXNKRNJZ-UHFFFAOYSA-N
XLogP0.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 2-piperazin-1-yl-1,3-thiazole (CID 911806) is 2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 2-piperazin-1-yl-1,3-thiazole is c1csc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-1,3-thiazole?
The InChIKey is WQFWIVTXNKRNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2.
What are the key properties of 2-piperazin-1-yl-1,3-thiazole?
2-piperazin-1-yl-1,3-thiazole has a molecular weight of 169.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 911806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).