[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine

C12H16N4S — CID 91812133

IUPAC[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1nc2cccnc2s1
InChIInChI=1S/C12H16N4S/c13-8-9-4-1-2-7-16(9)12-15-10-5-3-6-14-11(10)17-12/h3,5-6,9H,1-2,4,7-8,13H2
InChIKeySPNBKNSLJORGPQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.01
Rot. Bonds2

About [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine

[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine (PubChem CID 91812133) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine
PubChem CID91812133
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1nc2cccnc2s1
InChIInChI=1S/C12H16N4S/c13-8-9-4-1-2-7-16(9)12-15-10-5-3-6-14-11(10)17-12/h3,5-6,9H,1-2,4,7-8,13H2
InChIKeySPNBKNSLJORGPQ-UHFFFAOYSA-N
XLogP2.01
TPSA55.04 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-amine
CID 102549121
[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-2-yl]methanamine
CID 65168676
[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine
CID 18446041
[1-(1,2,4-benzotriazin-3-yl)azepan-2-yl]methanamine
CID 103205238
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279108
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 20952135

Frequently Asked Questions

What is the IUPAC name of [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine (CID 91812133) is [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine is NCC1CCCCN1c1nc2cccnc2s1.
What is the InChIKey of [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine?
The InChIKey is SPNBKNSLJORGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-8-9-4-1-2-7-16(9)12-15-10-5-3-6-14-11(10)17-12/h3,5-6,9H,1-2,4,7-8,13H2.
What are the key properties of [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine?
[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 91812133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).