N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C8H9N3S — CID 2747540

IUPACN-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCNc1nc2cccnc2s1
InChIInChI=1S/C8H9N3S/c1-2-9-8-11-6-4-3-5-10-7(6)12-8/h3-5H,2H2,1H3,(H,9,11)
InChIKeyRWSFBSWRFBRXDY-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.12
Rot. Bonds2

About N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 2747540) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID2747540
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC NameN-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCNc1nc2cccnc2s1
InChIInChI=1S/C8H9N3S/c1-2-9-8-11-6-4-3-5-10-7(6)12-8/h3-5H,2H2,1H3,(H,9,11)
InChIKeyRWSFBSWRFBRXDY-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 2747540) is N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CCNc1nc2cccnc2s1.
What is the InChIKey of N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is RWSFBSWRFBRXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-2-9-8-11-6-4-3-5-10-7(6)12-8/h3-5H,2H2,1H3,(H,9,11).
What are the key properties of N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 179.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 2747540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).