ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate

C13H18N2O3S — CID 110696139

IUPACethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2nc(C)cs2)C1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)10-5-4-6-15(7-10)12(16)11-14-9(2)8-19-11/h8,10H,3-7H2,1-2H3
InChIKeyGUSHCTIUYSCLET-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.87
Rot. Bonds3

About ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate

ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate (PubChem CID 110696139) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate
PubChem CID110696139
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2nc(C)cs2)C1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)10-5-4-6-15(7-10)12(16)11-14-9(2)8-19-11/h8,10H,3-7H2,1-2H3
InChIKeyGUSHCTIUYSCLET-UHFFFAOYSA-N
XLogP1.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 110696169
(4-methyl-1,3-thiazol-2-yl)-piperidin-1-ylmethanone
CID 67514784
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl (3R)-1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-3-carboxylate
CID 95056808

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate (CID 110696139) is ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2nc(C)cs2)C1.
What is the InChIKey of ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is GUSHCTIUYSCLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-18-13(17)10-5-4-6-15(7-10)12(16)11-14-9(2)8-19-11/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate?
ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 110696139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).