N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide

C20H21FN4OS — CID 53187222

IUPACN-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1
InChIInChI=1S/C20H21FN4OS/c1-2-22-18(26)13-9-11-25(12-10-13)20-24-17-8-7-16(23-19(17)27-20)14-5-3-4-6-15(14)21/h3-8,13H,2,9-12H2,1H3,(H,22,26)
InChIKeyCBFODVTVNGBMIN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.85
Rot. Bonds4

About N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide

N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (PubChem CID 53187222) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
PubChem CID53187222
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC NameN-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1
InChIInChI=1S/C20H21FN4OS/c1-2-22-18(26)13-9-11-25(12-10-13)20-24-17-8-7-16(23-19(17)27-20)14-5-3-4-6-15(14)21/h3-8,13H,2,9-12H2,1H3,(H,22,26)
InChIKeyCBFODVTVNGBMIN-UHFFFAOYSA-N
XLogP3.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (CID 53187222) is N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is CCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1.
What is the InChIKey of N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The InChIKey is CBFODVTVNGBMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-2-22-18(26)13-9-11-25(12-10-13)20-24-17-8-7-16(23-19(17)27-20)14-5-3-4-6-15(14)21/h3-8,13H,2,9-12H2,1H3,(H,22,26).
What are the key properties of N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53187222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).