ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate

C17H21N3O3S — CID 89411721

IUPACethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(-c3cccc(N)c3O)cs2)CC1
InChIInChI=1S/C17H21N3O3S/c1-2-23-16(22)11-6-8-20(9-7-11)17-19-14(10-24-17)12-4-3-5-13(18)15(12)21/h3-5,10-11,21H,2,6-9,18H2,1H3
InChIKeyTUJVFHVHZDASKD-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.88
Rot. Bonds4

About ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate

ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate (PubChem CID 89411721) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate
PubChem CID89411721
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Nameethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(-c3cccc(N)c3O)cs2)CC1
InChIInChI=1S/C17H21N3O3S/c1-2-23-16(22)11-6-8-20(9-7-11)17-19-14(10-24-17)12-4-3-5-13(18)15(12)21/h3-5,10-11,21H,2,6-9,18H2,1H3
InChIKeyTUJVFHVHZDASKD-UHFFFAOYSA-N
XLogP2.88
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[4-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 143937001
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 630762
ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
CID 71264813
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
ethyl 1-[4-[5-methyl-2-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 68559919
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047336
1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 123534585
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
tert-butyl (3R,4R)-1-[4-(2-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate
CID 118681250
2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 129303196
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate (CID 89411721) is ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(-c3cccc(N)c3O)cs2)CC1.
What is the InChIKey of ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate?
The InChIKey is TUJVFHVHZDASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-23-16(22)11-6-8-20(9-7-11)17-19-14(10-24-17)12-4-3-5-13(18)15(12)21/h3-5,10-11,21H,2,6-9,18H2,1H3.
What are the key properties of ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate?
ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 89411721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).