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

C12H12N4S — CID 79821675

IUPACN-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3sccc3C)nc2n1
InChIInChI=1S/C12H12N4S/c1-7-5-6-17-10(7)12-14-8-3-4-9(13-2)15-11(8)16-12/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyYUHNBVGTFUVZQG-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.04
Rot. Bonds2

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

N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821675) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821675
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC NameN-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3sccc3C)nc2n1
InChIInChI=1S/C12H12N4S/c1-7-5-6-17-10(7)12-14-8-3-4-9(13-2)15-11(8)16-12/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyYUHNBVGTFUVZQG-UHFFFAOYSA-N
XLogP3.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821675) is N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(-c3sccc3C)nc2n1.
What is the InChIKey of N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is YUHNBVGTFUVZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-7-5-6-17-10(7)12-14-8-3-4-9(13-2)15-11(8)16-12/h3-6H,1-2H3,(H2,13,14,15,16).
What are the key properties of N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 244.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).