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

C14H17F3N2O3S — CID 110676667

IUPACethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2sc(C(F)(F)F)nc2C)CC1
InChIInChI=1S/C14H17F3N2O3S/c1-3-22-12(21)9-4-6-19(7-5-9)11(20)10-8(2)18-13(23-10)14(15,16)17/h9H,3-7H2,1-2H3
InChIKeyISIPINZMADGOEJ-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.89
Rot. Bonds3

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

ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate (PubChem CID 110676667) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
PubChem CID110676667
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Nameethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2sc(C(F)(F)F)nc2C)CC1
InChIInChI=1S/C14H17F3N2O3S/c1-3-22-12(21)9-4-6-19(7-5-9)11(20)10-8(2)18-13(23-10)14(15,16)17/h9H,3-7H2,1-2H3
InChIKeyISIPINZMADGOEJ-UHFFFAOYSA-N
XLogP2.89
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate (CID 110676667) is ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2sc(C(F)(F)F)nc2C)CC1.
What is the InChIKey of ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
The InChIKey is ISIPINZMADGOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c1-3-22-12(21)9-4-6-19(7-5-9)11(20)10-8(2)18-13(23-10)14(15,16)17/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate has a molecular weight of 350.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 110676667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).