2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C11H11N5S — CID 79821819

IUPAC2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3sccc3N)nc2n1
InChIInChI=1S/C11H11N5S/c1-13-8-3-2-7-10(15-8)16-11(14-7)9-6(12)4-5-17-9/h2-5H,12H2,1H3,(H2,13,14,15,16)
InChIKeyLXDBGKNTBOPIKY-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821819) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821819
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3sccc3N)nc2n1
InChIInChI=1S/C11H11N5S/c1-13-8-3-2-7-10(15-8)16-11(14-7)9-6(12)4-5-17-9/h2-5H,12H2,1H3,(H2,13,14,15,16)
InChIKeyLXDBGKNTBOPIKY-UHFFFAOYSA-N
XLogP2.31
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821819) is 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(-c3sccc3N)nc2n1.
What is the InChIKey of 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is LXDBGKNTBOPIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-13-8-3-2-7-10(15-8)16-11(14-7)9-6(12)4-5-17-9/h2-5H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 245.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminothiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).