ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate

C13H18N2O3S — CID 21255136

IUPACethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(C)CCN1C(=O)c1cncs1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)10-6-9(2)4-5-15(10)12(16)11-7-14-8-19-11/h7-10H,3-6H2,1-2H3
InChIKeyLQARURFUIVZWIK-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.95
Rot. Bonds3

About ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate

ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate (PubChem CID 21255136) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate
PubChem CID21255136
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(C)CCN1C(=O)c1cncs1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)10-6-9(2)4-5-15(10)12(16)11-7-14-8-19-11/h7-10H,3-6H2,1-2H3
InChIKeyLQARURFUIVZWIK-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate (CID 21255136) is ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CC(C)CCN1C(=O)c1cncs1.
What is the InChIKey of ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is LQARURFUIVZWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-18-13(17)10-6-9(2)4-5-15(10)12(16)11-7-14-8-19-11/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate?
ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 21255136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).