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

C16H16ClN5OS — CID 66797427

IUPAC6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
SMILESClc1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C16H16ClN5OS/c17-11-6-14-15(20-7-11)21-16(24-14)22-5-4-19-8-12(22)10-23-13-2-1-3-18-9-13/h1-3,6-7,9,12,19H,4-5,8,10H2
InChIKeyOEEVLYURDVGDRZ-UHFFFAOYSA-N
MW361.86 g/mol
LogP2.60
Rot. Bonds4

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

6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 66797427) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID66797427
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
SMILESClc1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C16H16ClN5OS/c17-11-6-14-15(20-7-11)21-16(24-14)22-5-4-19-8-12(22)10-23-13-2-1-3-18-9-13/h1-3,6-7,9,12,19H,4-5,8,10H2
InChIKeyOEEVLYURDVGDRZ-UHFFFAOYSA-N
XLogP2.60
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine (CID 66797427) is 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine is Clc1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1.
What is the InChIKey of 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is OEEVLYURDVGDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c17-11-6-14-15(20-7-11)21-16(24-14)22-5-4-19-8-12(22)10-23-13-2-1-3-18-9-13/h1-3,6-7,9,12,19H,4-5,8,10H2.
What are the key properties of 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 361.86 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 66797427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).