ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate

C15H17FN2O2S — CID 83119614

IUPACethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)(NCc1cccs1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O2S/c1-3-20-14(19)15(2,13-7-6-11(16)9-17-13)18-10-12-5-4-8-21-12/h4-9,18H,3,10H2,1-2H3
InChIKeySDLVQTZUWCYMKR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.85
Rot. Bonds6

About ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate

ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate (PubChem CID 83119614) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate
PubChem CID83119614
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Nameethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)(NCc1cccs1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O2S/c1-3-20-14(19)15(2,13-7-6-11(16)9-17-13)18-10-12-5-4-8-21-12/h4-9,18H,3,10H2,1-2H3
InChIKeySDLVQTZUWCYMKR-UHFFFAOYSA-N
XLogP2.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate (CID 83119614) is ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate is CCOC(=O)C(C)(NCc1cccs1)c1ccc(F)cn1.
What is the InChIKey of ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate?
The InChIKey is SDLVQTZUWCYMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-20-14(19)15(2,13-7-6-11(16)9-17-13)18-10-12-5-4-8-21-12/h4-9,18H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate?
ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate has a molecular weight of 308.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate is sourced from PubChem (CID 83119614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).