2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine

C22H21N5OS — CID 58382738

IUPAC2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(N2CCN(Cc3ccc(Oc4nc5ccncc5s4)cc3)CC2)nc1
InChIInChI=1S/C22H21N5OS/c1-2-9-24-21(3-1)27-13-11-26(12-14-27)16-17-4-6-18(7-5-17)28-22-25-19-8-10-23-15-20(19)29-22/h1-10,15H,11-14,16H2
InChIKeyQNMRDWYKWOHWDQ-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.20
Rot. Bonds5

About 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine

2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 58382738) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID58382738
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(N2CCN(Cc3ccc(Oc4nc5ccncc5s4)cc3)CC2)nc1
InChIInChI=1S/C22H21N5OS/c1-2-9-24-21(3-1)27-13-11-26(12-14-27)16-17-4-6-18(7-5-17)28-22-25-19-8-10-23-15-20(19)29-22/h1-10,15H,11-14,16H2
InChIKeyQNMRDWYKWOHWDQ-UHFFFAOYSA-N
XLogP4.20
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

4-[[4-([1,3]thiazolo[5,4-c]pyridin-2-yloxy)phenyl]methyl]-1,4-diazepane-1-carbaldehyde
CID 143877959
2-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenoxy]-1,3-benzothiazole
CID 91258771
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
2-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]-1,3-benzothiazole
CID 142996899
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 58382734

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine (CID 58382738) is 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine is c1ccc(N2CCN(Cc3ccc(Oc4nc5ccncc5s4)cc3)CC2)nc1.
What is the InChIKey of 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is QNMRDWYKWOHWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-2-9-24-21(3-1)27-13-11-26(12-14-27)16-17-4-6-18(7-5-17)28-22-25-19-8-10-23-15-20(19)29-22/h1-10,15H,11-14,16H2.
What are the key properties of 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine?
2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 403.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 58382738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).