ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate

C13H20N2O3S — CID 110830867

IUPACethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)sc1CN1CCCCC1C
InChIInChI=1S/C13H20N2O3S/c1-3-18-12(16)11-10(19-13(17)14-11)8-15-7-5-4-6-9(15)2/h9H,3-8H2,1-2H3,(H,14,17)
InChIKeyKTUROQJAIGAEMV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.99
Rot. Bonds4

About ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate

ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate (PubChem CID 110830867) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate
PubChem CID110830867
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)sc1CN1CCCCC1C
InChIInChI=1S/C13H20N2O3S/c1-3-18-12(16)11-10(19-13(17)14-11)8-15-7-5-4-6-9(15)2/h9H,3-8H2,1-2H3,(H,14,17)
InChIKeyKTUROQJAIGAEMV-UHFFFAOYSA-N
XLogP1.99
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[(2S)-2-methylpiperidin-1-yl]methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576585
ethyl (4S)-4-methyl-6-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 124838090
ethyl (6R)-3-methyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate
CID 93138937
ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 22197814
ethyl 5-[[butyl(ethyl)amino]methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate
CID 110830865
ethyl (4R)-4-(3-methoxyphenyl)-6-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7457177
1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 82427476
6-acetyl-5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714818
ethyl 5-methoxy-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 686798
ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
CID 8583347
ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108778425
ethyl 2,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonyl-1H-pyrrole-3-carboxylate
CID 53298960

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate (CID 110830867) is ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate is CCOC(=O)c1[nH]c(=O)sc1CN1CCCCC1C.
What is the InChIKey of ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate?
The InChIKey is KTUROQJAIGAEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-18-12(16)11-10(19-13(17)14-11)8-15-7-5-4-6-9(15)2/h9H,3-8H2,1-2H3,(H,14,17).
What are the key properties of ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate?
ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3H-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 110830867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).