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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Related Compounds

5-methyl-2-[4-methyl-1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole
CID 124970776
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110114440
5-methyl-2-(1-methylcyclononyl)-1,3-thiazole
CID 130179511
3,7-dimethyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361034
4-(oxan-4-ylmethyl)morpholine
CID 122244931
(3S)-3-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371170
4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carbothioamide
CID 107161634
(5R,9R)-N-(5-methylpyrimidin-2-yl)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477347
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 175659264
2-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698243
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945
2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 110102930

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).