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

C16H17Cl2N5OS — CID 90254969

IUPAC6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
SMILESCl.Clc1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C16H16ClN5OS.ClH/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;1H
InChIKeyLLVCOYMJBSXQNG-UHFFFAOYSA-N
MW398.32 g/mol
LogP3.02
Rot. Bonds4

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

6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride (PubChem CID 90254969) has the molecular formula C16H17Cl2N5OS and a molecular weight of 398.32 g/mol. Its IUPAC name is 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
PubChem CID90254969
Molecular FormulaC16H17Cl2N5OS
Molecular Weight398.32 g/mol
Exact Mass397.05
IUPAC Name6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
SMILESCl.Clc1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C16H16ClN5OS.ClH/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;1H
InChIKeyLLVCOYMJBSXQNG-UHFFFAOYSA-N
XLogP3.02
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-((Pyridin-3-yloxy)methyl)piperazin-1-yl)benzo[d]thiazole
CID 59671531
6-Chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796732
4,6-Difluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 66796902
4-Fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 66797138
2-[2-(Pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 66801719
6-Fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 90255021
5-chloro-N-(5-chloro-2-pyridinyl)-4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 122192411
4-[4-[(6-Chloro-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 127044525
2-[2-(Pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
CID 59671536
Tert-butyl 3-((pyridin-3-yloxy)methyl)-4-(6-(trifluoromethyl)thiazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 59671604
4-fluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796533
4-Fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796534

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;hydrochloride?
The IUPAC name of 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride (CID 90254969) is 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is LLVCOYMJBSXQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS.ClH/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;1H.
What are the key properties of 6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride?
6-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride has a molecular weight of 398.32 g/mol, XLogP of 3.02, 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;hydrochloride is sourced from PubChem (CID 90254969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).