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

C14H22N2OS — CID 73440171

IUPAC2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole
SMILESc1csc(CC2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C14H22N2OS/c1-2-12(10-14-15-5-9-18-14)11-16(6-1)13-3-7-17-8-4-13/h5,9,12-13H,1-4,6-8,10-11H2
InChIKeyYNTIBRDVLNHXAH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.58
Rot. Bonds3

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

2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole (PubChem CID 73440171) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole
PubChem CID73440171
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole
SMILESc1csc(CC2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C14H22N2OS/c1-2-12(10-14-15-5-9-18-14)11-16(6-1)13-3-7-17-8-4-13/h5,9,12-13H,1-4,6-8,10-11H2
InChIKeyYNTIBRDVLNHXAH-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole (CID 73440171) is 2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole is c1csc(CC2CCCN(C3CCOCC3)C2)n1.
What is the InChIKey of 2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole?
The InChIKey is YNTIBRDVLNHXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-12(10-14-15-5-9-18-14)11-16(6-1)13-3-7-17-8-4-13/h5,9,12-13H,1-4,6-8,10-11H2.
What are the key properties of 2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole?
2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole has a molecular weight of 266.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 73440171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).