ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate

C12H18N2O2S — CID 124513905

IUPACethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc([C@@H]2CCCNC2)nc1C
InChIInChI=1S/C12H18N2O2S/c1-3-16-12(15)10-8(2)14-11(17-10)9-5-4-6-13-7-9/h9,13H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyUBMDTLDIMDGREZ-SECBINFHSA-N
MW254.35 g/mol
LogP2.10
Rot. Bonds3

About ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate (PubChem CID 124513905) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate
PubChem CID124513905
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc([C@@H]2CCCNC2)nc1C
InChIInChI=1S/C12H18N2O2S/c1-3-16-12(15)10-8(2)14-11(17-10)9-5-4-6-13-7-9/h9,13H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyUBMDTLDIMDGREZ-SECBINFHSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-pyrrolidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 121199781
ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate
CID 96839534
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648
[3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate
CID 71988153
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
2-cyclopentyl-N,4-dimethyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119554200
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473197
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate (CID 124513905) is ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc([C@@H]2CCCNC2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is UBMDTLDIMDGREZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-16-12(15)10-8(2)14-11(17-10)9-5-4-6-13-7-9/h9,13H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 124513905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).