2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole

C14H24N2OS — CID 122139894

IUPAC2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole
SMILESCC(C)COCCN1CCCCC1c1nccs1
InChIInChI=1S/C14H24N2OS/c1-12(2)11-17-9-8-16-7-4-3-5-13(16)14-15-6-10-18-14/h6,10,12-13H,3-5,7-9,11H2,1-2H3
InChIKeySETDUBJNGBWYQU-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.34
Rot. Bonds6

About 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole

2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole (PubChem CID 122139894) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole
PubChem CID122139894
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole
SMILESCC(C)COCCN1CCCCC1c1nccs1
InChIInChI=1S/C14H24N2OS/c1-12(2)11-17-9-8-16-7-4-3-5-13(16)14-15-6-10-18-14/h6,10,12-13H,3-5,7-9,11H2,1-2H3
InChIKeySETDUBJNGBWYQU-UHFFFAOYSA-N
XLogP3.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 91838515
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124615998
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 120982588
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
CID 106460190
2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile
CID 130666209
[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
CID 100627976
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268
2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole
CID 124743874
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole (CID 122139894) is 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole is CC(C)COCCN1CCCCC1c1nccs1.
What is the InChIKey of 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole?
The InChIKey is SETDUBJNGBWYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12(2)11-17-9-8-16-7-4-3-5-13(16)14-15-6-10-18-14/h6,10,12-13H,3-5,7-9,11H2,1-2H3.
What are the key properties of 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole?
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole has a molecular weight of 268.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 122139894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).