2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole

C21H28N2O3S — CID 126768078

IUPAC2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole
SMILESc1cc(OCc2csc(C3CCCO3)n2)ccc1OCCN1CCCCC1
InChIInChI=1S/C21H28N2O3S/c1-2-10-23(11-3-1)12-14-24-18-6-8-19(9-7-18)26-15-17-16-27-21(22-17)20-5-4-13-25-20/h6-9,16,20H,1-5,10-15H2
InChIKeyZVCLQEGYAGRCDW-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.44
Rot. Bonds8

About 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole

2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole (PubChem CID 126768078) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole
PubChem CID126768078
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole
SMILESc1cc(OCc2csc(C3CCCO3)n2)ccc1OCCN1CCCCC1
InChIInChI=1S/C21H28N2O3S/c1-2-10-23(11-3-1)12-14-24-18-6-8-19(9-7-18)26-15-17-16-27-21(22-17)20-5-4-13-25-20/h6-9,16,20H,1-5,10-15H2
InChIKeyZVCLQEGYAGRCDW-UHFFFAOYSA-N
XLogP4.44
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole with MolForge

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Related Compounds

1-[4-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]pyrrolidin-2-one
CID 99697259
4-[(3-chloro-2-fluorophenoxy)methyl]-2-(oxolan-2-yl)-1,3-thiazole
CID 126774700
2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole
CID 126774127
[2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 126774616
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 58603273
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole (CID 126768078) is 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole is c1cc(OCc2csc(C3CCCO3)n2)ccc1OCCN1CCCCC1.
What is the InChIKey of 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole?
The InChIKey is ZVCLQEGYAGRCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-2-10-23(11-3-1)12-14-24-18-6-8-19(9-7-18)26-15-17-16-27-21(22-17)20-5-4-13-25-20/h6-9,16,20H,1-5,10-15H2.
What are the key properties of 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole?
2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole has a molecular weight of 388.53 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-4-[[4-(2-piperidin-1-ylethoxy)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 126768078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).