2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine

C11H11N5S — CID 79821019

IUPAC2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(N)sc1-c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C11H11N5S/c1-5-4-8(13)17-9(5)11-14-6-2-3-7(12)15-10(6)16-11/h2-4H,13H2,1H3,(H3,12,14,15,16)
InChIKeyIJHYJIISZGDWQF-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.16
Rot. Bonds1

About 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821019) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821019
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(N)sc1-c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C11H11N5S/c1-5-4-8(13)17-9(5)11-14-6-2-3-7(12)15-10(6)16-11/h2-4H,13H2,1H3,(H3,12,14,15,16)
InChIKeyIJHYJIISZGDWQF-UHFFFAOYSA-N
XLogP2.16
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821019) is 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is Cc1cc(N)sc1-c1nc2nc(N)ccc2[nH]1.
What is the InChIKey of 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is IJHYJIISZGDWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-5-4-8(13)17-9(5)11-14-6-2-3-7(12)15-10(6)16-11/h2-4H,13H2,1H3,(H3,12,14,15,16).
What are the key properties of 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 245.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).