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

C12H10N4S — CID 114324844

IUPAC[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc3cccnc3s2)ccn1
InChIInChI=1S/C12H10N4S/c13-7-9-6-8(3-5-14-9)11-16-10-2-1-4-15-12(10)17-11/h1-6H,7,13H2
InChIKeyJRQHFQQMWKBVKM-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.21
Rot. Bonds2

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

[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine (PubChem CID 114324844) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is [4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine
PubChem CID114324844
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc3cccnc3s2)ccn1
InChIInChI=1S/C12H10N4S/c13-7-9-6-8(3-5-14-9)11-16-10-2-1-4-15-12(10)17-11/h1-6H,7,13H2
InChIKeyJRQHFQQMWKBVKM-UHFFFAOYSA-N
XLogP2.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine (CID 114324844) is [4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine is NCc1cc(-c2nc3cccnc3s2)ccn1.
What is the InChIKey of [4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine?
The InChIKey is JRQHFQQMWKBVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-7-9-6-8(3-5-14-9)11-16-10-2-1-4-15-12(10)17-11/h1-6H,7,13H2.
What are the key properties of [4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine?
[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine has a molecular weight of 242.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114324844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).