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

C14H22N2OS — CID 141412758

IUPAC2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESc1csc(C2CCN(CC3CCCCO3)CC2)n1
InChIInChI=1S/C14H22N2OS/c1-2-9-17-13(3-1)11-16-7-4-12(5-8-16)14-15-6-10-18-14/h6,10,12-13H,1-5,7-9,11H2
InChIKeyQQMVKEADOUEUMB-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.89
Rot. Bonds3

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

2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 141412758) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID141412758
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESc1csc(C2CCN(CC3CCCCO3)CC2)n1
InChIInChI=1S/C14H22N2OS/c1-2-9-17-13(3-1)11-16-7-4-12(5-8-16)14-15-6-10-18-14/h6,10,12-13H,1-5,7-9,11H2
InChIKeyQQMVKEADOUEUMB-UHFFFAOYSA-N
XLogP2.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole (CID 141412758) is 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole is c1csc(C2CCN(CC3CCCCO3)CC2)n1.
What is the InChIKey of 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is QQMVKEADOUEUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-9-17-13(3-1)11-16-7-4-12(5-8-16)14-15-6-10-18-14/h6,10,12-13H,1-5,7-9,11H2.
What are the key properties of 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 266.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 141412758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).