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

C16H26N2OS — CID 110114372

IUPAC5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCc1cnc(C2(C)CCN(CC3CCOCC3)CC2)s1
InChIInChI=1S/C16H26N2OS/c1-13-11-17-15(20-13)16(2)5-7-18(8-6-16)12-14-3-9-19-10-4-14/h11,14H,3-10,12H2,1-2H3
InChIKeyPPQGHHJVVPNOQX-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.23
Rot. Bonds3

About 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole

5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 110114372) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID110114372
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCc1cnc(C2(C)CCN(CC3CCOCC3)CC2)s1
InChIInChI=1S/C16H26N2OS/c1-13-11-17-15(20-13)16(2)5-7-18(8-6-16)12-14-3-9-19-10-4-14/h11,14H,3-10,12H2,1-2H3
InChIKeyPPQGHHJVVPNOQX-UHFFFAOYSA-N
XLogP3.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole (CID 110114372) is 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole is Cc1cnc(C2(C)CCN(CC3CCOCC3)CC2)s1.
What is the InChIKey of 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is PPQGHHJVVPNOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13-11-17-15(20-13)16(2)5-7-18(8-6-16)12-14-3-9-19-10-4-14/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole?
5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 294.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 110114372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).