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

C14H20N2O3S — CID 110696333

IUPACethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nc(C)c(C)s2)CC1
InChIInChI=1S/C14H20N2O3S/c1-4-19-14(18)11-5-7-16(8-6-11)13(17)12-15-9(2)10(3)20-12/h11H,4-8H2,1-3H3
InChIKeyQRPHQSFPCZSGEU-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.18
Rot. Bonds3

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

ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate (PubChem CID 110696333) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate
PubChem CID110696333
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nc(C)c(C)s2)CC1
InChIInChI=1S/C14H20N2O3S/c1-4-19-14(18)11-5-7-16(8-6-11)13(17)12-15-9(2)10(3)20-12/h11H,4-8H2,1-3H3
InChIKeyQRPHQSFPCZSGEU-UHFFFAOYSA-N
XLogP2.18
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate (CID 110696333) is ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2nc(C)c(C)s2)CC1.
What is the InChIKey of ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is QRPHQSFPCZSGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-19-14(18)11-5-7-16(8-6-11)13(17)12-15-9(2)10(3)20-12/h11H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 110696333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).