2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine

C12H16N4S — CID 65335839

IUPAC2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(c1nc2cccnc2s1)N1CCNCC1
InChIInChI=1S/C12H16N4S/c1-9(16-7-5-13-6-8-16)11-15-10-3-2-4-14-12(10)17-11/h2-4,9,13H,5-8H2,1H3
InChIKeyXZQABWLSCOUJEP-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.66
Rot. Bonds2

About 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine

2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 65335839) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID65335839
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(c1nc2cccnc2s1)N1CCNCC1
InChIInChI=1S/C12H16N4S/c1-9(16-7-5-13-6-8-16)11-15-10-3-2-4-14-12(10)17-11/h2-4,9,13H,5-8H2,1H3
InChIKeyXZQABWLSCOUJEP-UHFFFAOYSA-N
XLogP1.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methane;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 160984221
(1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82409431
2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335054
1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171276366
1-[(1R)-1-(2-bromo-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171289099
1-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-1-amine
CID 65335679
4-(1-piperazin-1-ylethyl)quinoline
CID 3377936
1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine
CID 83890125
2-[1,4-diazepan-1-yl-(3-methyl-2-pyridinyl)methyl]-1,3-benzothiazole
CID 3804050
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
CID 62316014
4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 63342467

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 65335839) is 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine is CC(c1nc2cccnc2s1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is XZQABWLSCOUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9(16-7-5-13-6-8-16)11-15-10-3-2-4-14-12(10)17-11/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine?
2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 248.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 65335839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).