6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine

C17H18FN5OS — CID 90377224

IUPAC6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
SMILESFCc1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C17H18FN5OS/c18-7-12-6-15-16(21-8-12)22-17(25-15)23-5-4-20-9-13(23)11-24-14-2-1-3-19-10-14/h1-3,6,8,10,13,20H,4-5,7,9,11H2
InChIKeyJPEJXMPFDAHMLR-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.41
Rot. Bonds5

About 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine

6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 90377224) has the molecular formula C17H18FN5OS and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID90377224
Molecular FormulaC17H18FN5OS
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
SMILESFCc1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C17H18FN5OS/c18-7-12-6-15-16(21-8-12)22-17(25-15)23-5-4-20-9-13(23)11-24-14-2-1-3-19-10-14/h1-3,6,8,10,13,20H,4-5,7,9,11H2
InChIKeyJPEJXMPFDAHMLR-UHFFFAOYSA-N
XLogP2.41
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine (CID 90377224) is 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine is FCc1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1.
What is the InChIKey of 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is JPEJXMPFDAHMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS/c18-7-12-6-15-16(21-8-12)22-17(25-15)23-5-4-20-9-13(23)11-24-14-2-1-3-19-10-14/h1-3,6,8,10,13,20H,4-5,7,9,11H2.
What are the key properties of 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 359.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 90377224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).