2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole

C12H19N3OS — CID 75496874

IUPAC2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C12H19N3OS/c1-8-16-9-2-11(1)14-4-6-15(7-5-14)12-13-3-10-17-12/h3,10-11H,1-2,4-9H2
InChIKeyOTQOIWBZQGFPAW-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.44
Rot. Bonds2

About 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole

2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 75496874) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID75496874
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C12H19N3OS/c1-8-16-9-2-11(1)14-4-6-15(7-5-14)12-13-3-10-17-12/h3,10-11H,1-2,4-9H2
InChIKeyOTQOIWBZQGFPAW-UHFFFAOYSA-N
XLogP1.44
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole (CID 75496874) is 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole is c1csc(N2CCN(C3CCOCC3)CC2)n1.
What is the InChIKey of 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is OTQOIWBZQGFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-16-9-2-11(1)14-4-6-15(7-5-14)12-13-3-10-17-12/h3,10-11H,1-2,4-9H2.
What are the key properties of 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole?
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 253.37 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 75496874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).