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

C14H22N2OS — CID 116828968

IUPAC4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESc1sc(CC2CCNCC2)nc1C1CCOCC1
InChIInChI=1S/C14H22N2OS/c1-5-15-6-2-11(1)9-14-16-13(10-18-14)12-3-7-17-8-4-12/h10-12,15H,1-9H2
InChIKeyRSJSBHJXGGPOKN-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.58
Rot. Bonds3

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

4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole (PubChem CID 116828968) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
PubChem CID116828968
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESc1sc(CC2CCNCC2)nc1C1CCOCC1
InChIInChI=1S/C14H22N2OS/c1-5-15-6-2-11(1)9-14-16-13(10-18-14)12-3-7-17-8-4-12/h10-12,15H,1-9H2
InChIKeyRSJSBHJXGGPOKN-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
2-(azetidin-3-ylmethyl)-4-piperidin-4-yl-1,3-thiazole
CID 115042296
4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965399
2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole
CID 105448612
2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888781
2-(methoxymethyl)-4-piperidin-4-yl-1,3-thiazole
CID 82276880
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116969214
N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558388

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole (CID 116828968) is 4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole is c1sc(CC2CCNCC2)nc1C1CCOCC1.
What is the InChIKey of 4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The InChIKey is RSJSBHJXGGPOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-15-6-2-11(1)9-14-16-13(10-18-14)12-3-7-17-8-4-12/h10-12,15H,1-9H2.
What are the key properties of 4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole?
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole has a molecular weight of 266.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116828968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).