ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate

C14H20N2O4S — CID 107394173

IUPACethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N2CCCC(C)(OC)C2)cs1
InChIInChI=1S/C14H20N2O4S/c1-4-20-13(18)11-15-10(8-21-11)12(17)16-7-5-6-14(2,9-16)19-3/h8H,4-7,9H2,1-3H3
InChIKeyXDJLZNUQZZDJSL-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.96
Rot. Bonds4

About ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate

ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate (PubChem CID 107394173) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
PubChem CID107394173
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Nameethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N2CCCC(C)(OC)C2)cs1
InChIInChI=1S/C14H20N2O4S/c1-4-20-13(18)11-15-10(8-21-11)12(17)16-7-5-6-14(2,9-16)19-3/h8H,4-7,9H2,1-3H3
InChIKeyXDJLZNUQZZDJSL-UHFFFAOYSA-N
XLogP1.96
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
CID 116698059
ethyl 4-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
CID 116697657
ethyl 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-thiazole-2-carboxylate
CID 114412289
ethyl 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 116697785
ethyl 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-1,3-thiazole-2-carboxylate
CID 116698125
ethyl 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 116698217
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
ethyl 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-thiazole-2-carboxylate
CID 116698086
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394925
ethyl 2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-oxazole-4-carboxylate
CID 107393013
(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107394944
(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390298

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate (CID 107394173) is ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)N2CCCC(C)(OC)C2)cs1.
What is the InChIKey of ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
The InChIKey is XDJLZNUQZZDJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-20-13(18)11-15-10(8-21-11)12(17)16-7-5-6-14(2,9-16)19-3/h8H,4-7,9H2,1-3H3.
What are the key properties of ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 107394173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).