3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine

C11H11N5S — CID 79289847

IUPAC3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCC(c1nccs1)n1c(N)nc2cccnc21
InChIInChI=1S/C11H11N5S/c1-7(10-14-5-6-17-10)16-9-8(15-11(16)12)3-2-4-13-9/h2-7H,1H3,(H2,12,15)
InChIKeyCPTRQURELGLMGD-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.08
Rot. Bonds2

About 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine

3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79289847) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79289847
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCC(c1nccs1)n1c(N)nc2cccnc21
InChIInChI=1S/C11H11N5S/c1-7(10-14-5-6-17-10)16-9-8(15-11(16)12)3-2-4-13-9/h2-7H,1H3,(H2,12,15)
InChIKeyCPTRQURELGLMGD-UHFFFAOYSA-N
XLogP2.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine (CID 79289847) is 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine is CC(c1nccs1)n1c(N)nc2cccnc21.
What is the InChIKey of 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is CPTRQURELGLMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7(10-14-5-6-17-10)16-9-8(15-11(16)12)3-2-4-13-9/h2-7H,1H3,(H2,12,15).
What are the key properties of 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine?
3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 245.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).