ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate

C11H16N2O2S — CID 96839534

IUPACethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc([C@@H]2CCCNC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)10-13-9(7-16-10)8-4-3-5-12-6-8/h7-8,12H,2-6H2,1H3/t8-/m1/s1
InChIKeyLFIOHMRRBGMFEO-MRVPVSSYSA-N
MW240.33 g/mol
LogP1.79
Rot. Bonds3

About ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate

ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate (PubChem CID 96839534) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate
PubChem CID96839534
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc([C@@H]2CCCNC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)10-13-9(7-16-10)8-4-3-5-12-6-8/h7-8,12H,2-6H2,1H3/t8-/m1/s1
InChIKeyLFIOHMRRBGMFEO-MRVPVSSYSA-N
XLogP1.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate
CID 124513905
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
3-(4-piperidin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 115035204
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate
CID 70793451
ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate
CID 124953490
4-cyclobutyl-1,3-thiazole-2-carboxamide
CID 116967982
ethyl 4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylate
CID 62275614
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
(2,2,2-trifluoroacetyl) 4-(azetidin-3-yl)-1,3-thiazole-2-carboxylate
CID 138689739
ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate
CID 114748147

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate (CID 96839534) is ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc([C@@H]2CCCNC2)cs1.
What is the InChIKey of ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate?
The InChIKey is LFIOHMRRBGMFEO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-15-11(14)10-13-9(7-16-10)8-4-3-5-12-6-8/h7-8,12H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate?
ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 96839534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).