ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate

C14H20N2O3S — CID 78915899

IUPACethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C14H20N2O3S/c1-3-19-14(18)12-6-4-5-7-16(12)13(17)8-11-9-20-10(2)15-11/h9,12H,3-8H2,1-2H3
InChIKeyPQWIYTZXVQFKKV-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.94
Rot. Bonds4

About ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate

ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate (PubChem CID 78915899) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
PubChem CID78915899
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C14H20N2O3S/c1-3-19-14(18)12-6-4-5-7-16(12)13(17)8-11-9-20-10(2)15-11/h9,12H,3-8H2,1-2H3
InChIKeyPQWIYTZXVQFKKV-UHFFFAOYSA-N
XLogP1.94
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 79833335
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
N-cyclopropyl-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 47164618
1-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]piperidine-2-carboxylic acid
CID 102553994
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778842
(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 79034814
(2S)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-2-carboxylic acid
CID 66263006
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
ethyl 2-[2-[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8581459
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95845730
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide
CID 50828964

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate (CID 78915899) is ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)Cc1csc(C)n1.
What is the InChIKey of ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate?
The InChIKey is PQWIYTZXVQFKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-19-14(18)12-6-4-5-7-16(12)13(17)8-11-9-20-10(2)15-11/h9,12H,3-8H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate?
ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 78915899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).