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

C13H20N2OS — CID 110269356

IUPAC2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole
SMILESc1csc(C2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C13H20N2OS/c1-2-11(13-14-5-9-17-13)10-15(6-1)12-3-7-16-8-4-12/h5,9,11-12H,1-4,6-8,10H2
InChIKeyMIDYUSJFBGYAHD-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.50
Rot. Bonds2

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

2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole (PubChem CID 110269356) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole
PubChem CID110269356
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole
SMILESc1csc(C2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C13H20N2OS/c1-2-11(13-14-5-9-17-13)10-15(6-1)12-3-7-16-8-4-12/h5,9,11-12H,1-4,6-8,10H2
InChIKeyMIDYUSJFBGYAHD-UHFFFAOYSA-N
XLogP2.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole
CID 124989530
2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole
CID 73440171
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 95841777
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol
CID 110932618
(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532948
3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 166211745
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110008771
(2-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632
3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97253149

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole (CID 110269356) is 2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole is c1csc(C2CCCN(C3CCOCC3)C2)n1.
What is the InChIKey of 2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole?
The InChIKey is MIDYUSJFBGYAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-11(13-14-5-9-17-13)10-15(6-1)12-3-7-16-8-4-12/h5,9,11-12H,1-4,6-8,10H2.
What are the key properties of 2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole?
2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole has a molecular weight of 252.38 g/mol, XLogP of 2.50, 2 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]-1,3-thiazole is sourced from PubChem (CID 110269356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).