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

C22H26FN5OS — CID 53187215

IUPACN-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1
InChIInChI=1S/C22H26FN5OS/c1-27(2)13-10-24-20(29)15-8-11-28(12-9-15)22-26-19-7-6-18(25-21(19)30-22)16-4-3-5-17(23)14-16/h3-7,14-15H,8-13H2,1-2H3,(H,24,29)
InChIKeyMZDKPPQSHRGFJE-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.39
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (PubChem CID 53187215) has the molecular formula C22H26FN5OS and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
PubChem CID53187215
Molecular FormulaC22H26FN5OS
Molecular Weight427.55 g/mol
Exact Mass427.18
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1
InChIInChI=1S/C22H26FN5OS/c1-27(2)13-10-24-20(29)15-8-11-28(12-9-15)22-26-19-7-6-18(25-21(19)30-22)16-4-3-5-17(23)14-16/h3-7,14-15H,8-13H2,1-2H3,(H,24,29)
InChIKeyMZDKPPQSHRGFJE-UHFFFAOYSA-N
XLogP3.39
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (CID 53187215) is N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The InChIKey is MZDKPPQSHRGFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5OS/c1-27(2)13-10-24-20(29)15-8-11-28(12-9-15)22-26-19-7-6-18(25-21(19)30-22)16-4-3-5-17(23)14-16/h3-7,14-15H,8-13H2,1-2H3,(H,24,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53187215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).