2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid

C18H22N2O3S — CID 22077384

IUPAC2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2csc(CCC3CCNCC3)n2)cc1
InChIInChI=1S/C18H22N2O3S/c21-18(22)11-23-15-4-2-14(3-5-15)16-12-24-17(20-16)6-1-13-7-9-19-10-8-13/h2-5,12-13,19H,1,6-11H2,(H,21,22)
InChIKeyQUXLISBXVTYHNU-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.21
Rot. Bonds7

About 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid

2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid (PubChem CID 22077384) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid
PubChem CID22077384
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2csc(CCC3CCNCC3)n2)cc1
InChIInChI=1S/C18H22N2O3S/c21-18(22)11-23-15-4-2-14(3-5-15)16-12-24-17(20-16)6-1-13-7-9-19-10-8-13/h2-5,12-13,19H,1,6-11H2,(H,21,22)
InChIKeyQUXLISBXVTYHNU-UHFFFAOYSA-N
XLogP3.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanedioic acid;7-chloro-N-[[4-[2-(2-cyclohexylethyl)-1,3-thiazol-4-yl]phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 160608228
2-[2,3-dimethyl-6-[2-[2-(oxan-4-yl)ethyl]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 166859027
4-[2-(cyclopentylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256814
2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18969291
4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 79817603
2-phenoxyacetic acid;piperazine
CID 54610102
2-(4-pyrrolidin-3-ylphenoxy)acetic acid
CID 115032579
2-[2-methyl-4-[4-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butoxy]phenoxy]acetic acid
CID 16734234
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406747
4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152487
2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid (CID 22077384) is 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid is O=C(O)COc1ccc(-c2csc(CCC3CCNCC3)n2)cc1.
What is the InChIKey of 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The InChIKey is QUXLISBXVTYHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-18(22)11-23-15-4-2-14(3-5-15)16-12-24-17(20-16)6-1-13-7-9-19-10-8-13/h2-5,12-13,19H,1,6-11H2,(H,21,22).
What are the key properties of 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid?
2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid has a molecular weight of 346.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 22077384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).