ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate

C11H15FN2O2S — CID 67528119

IUPACethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C11H15FN2O2S/c1-2-16-10(15)9-7-17-11(13-9)14-5-3-4-8(12)6-14/h7-8H,2-6H2,1H3
InChIKeyUHXBTGPGDQLBQT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds3

About ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 67528119) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID67528119
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Nameethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C11H15FN2O2S/c1-2-16-10(15)9-7-17-11(13-9)14-5-3-4-8(12)6-14/h7-8H,2-6H2,1H3
InChIKeyUHXBTGPGDQLBQT-UHFFFAOYSA-N
XLogP2.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate (CID 67528119) is ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CCCC(F)C2)n1.
What is the InChIKey of ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is UHXBTGPGDQLBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-2-16-10(15)9-7-17-11(13-9)14-5-3-4-8(12)6-14/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 67528119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).