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

C22H25FN4OS — CID 53187274

IUPACN,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C22H25FN4OS/c1-3-26(4-2)21(28)16-11-13-27(14-12-16)22-25-19-10-9-18(24-20(19)29-22)15-5-7-17(23)8-6-15/h5-10,16H,3-4,11-14H2,1-2H3
InChIKeyUNPFNKZQHVODGT-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.58
Rot. Bonds5

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

N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (PubChem CID 53187274) has the molecular formula C22H25FN4OS and a molecular weight of 412.53 g/mol. Its IUPAC name is N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
PubChem CID53187274
Molecular FormulaC22H25FN4OS
Molecular Weight412.53 g/mol
Exact Mass412.17
IUPAC NameN,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C22H25FN4OS/c1-3-26(4-2)21(28)16-11-13-27(14-12-16)22-25-19-10-9-18(24-20(19)29-22)15-5-7-17(23)8-6-15/h5-10,16H,3-4,11-14H2,1-2H3
InChIKeyUNPFNKZQHVODGT-UHFFFAOYSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (CID 53187274) is N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The InChIKey is UNPFNKZQHVODGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4OS/c1-3-26(4-2)21(28)16-11-13-27(14-12-16)22-25-19-10-9-18(24-20(19)29-22)15-5-7-17(23)8-6-15/h5-10,16H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53187274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).