ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

C18H23N3O3S — CID 1482785

IUPACethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(Oc3ccc(N)cc3)s2)CC1
InChIInChI=1S/C18H23N3O3S/c1-2-23-17(22)13-7-9-21(10-8-13)12-16-11-20-18(25-16)24-15-5-3-14(19)4-6-15/h3-6,11,13H,2,7-10,12,19H2,1H3
InChIKeyLOSDBVXAMMSZHF-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.29
Rot. Bonds6

About ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 1482785) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID1482785
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Nameethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(Oc3ccc(N)cc3)s2)CC1
InChIInChI=1S/C18H23N3O3S/c1-2-23-17(22)13-7-9-21(10-8-13)12-16-11-20-18(25-16)24-15-5-3-14(19)4-6-15/h3-6,11,13H,2,7-10,12,19H2,1H3
InChIKeyLOSDBVXAMMSZHF-UHFFFAOYSA-N
XLogP3.29
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate
CID 50896519
ethyl 1-[[2-(4-tert-butylphenoxy)-1,3-thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate
CID 6987010
ethyl 1-[(5-tert-butylthiophen-2-yl)methyl]piperidine-4-carboxylate
CID 58333085
ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate
CID 47027248
ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate
CID 22668702
ethyl (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81339167
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62892331
ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
CID 66155315
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
ethyl 1-[(7-hydroxyisoquinolin-3-yl)methyl]piperidine-4-carboxylate
CID 126757467
ethyl 1-[[3-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]methyl]piperidine-4-carboxylate
CID 5200395

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (CID 1482785) is ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(N)cc3)s2)CC1.
What is the InChIKey of ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is LOSDBVXAMMSZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-23-17(22)13-7-9-21(10-8-13)12-16-11-20-18(25-16)24-15-5-3-14(19)4-6-15/h3-6,11,13H,2,7-10,12,19H2,1H3.
What are the key properties of ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 361.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 1482785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).