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

C23H28FN5OS — CID 53187208

IUPACN-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1
InChIInChI=1S/C23H28FN5OS/c1-28(2)12-4-11-25-21(30)16-9-13-29(14-10-16)23-27-20-8-7-19(26-22(20)31-23)17-5-3-6-18(24)15-17/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,25,30)
InChIKeyABHXODJZQMYUJB-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.78
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (PubChem CID 53187208) has the molecular formula C23H28FN5OS and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
PubChem CID53187208
Molecular FormulaC23H28FN5OS
Molecular Weight441.58 g/mol
Exact Mass441.20
IUPAC NameN-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1
InChIInChI=1S/C23H28FN5OS/c1-28(2)12-4-11-25-21(30)16-9-13-29(14-10-16)23-27-20-8-7-19(26-22(20)31-23)17-5-3-6-18(24)15-17/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,25,30)
InChIKeyABHXODJZQMYUJB-UHFFFAOYSA-N
XLogP3.78
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide (CID 53187208) is N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is CN(C)CCCNC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
The InChIKey is ABHXODJZQMYUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5OS/c1-28(2)12-4-11-25-21(30)16-9-13-29(14-10-16)23-27-20-8-7-19(26-22(20)31-23)17-5-3-6-18(24)15-17/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,25,30).
What are the key properties of N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[5-(3-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53187208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).