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

C11H12N6S — CID 79821632

IUPAC2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1nc(CN)sc1-c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C11H12N6S/c1-5-9(18-8(4-12)14-5)11-15-6-2-3-7(13)16-10(6)17-11/h2-3H,4,12H2,1H3,(H3,13,15,16,17)
InChIKeyLQXKBBSTWAVLLY-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.43
Rot. Bonds2

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

2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821632) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821632
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC Name2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1nc(CN)sc1-c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C11H12N6S/c1-5-9(18-8(4-12)14-5)11-15-6-2-3-7(13)16-10(6)17-11/h2-3H,4,12H2,1H3,(H3,13,15,16,17)
InChIKeyLQXKBBSTWAVLLY-UHFFFAOYSA-N
XLogP1.43
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821632) is 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine is Cc1nc(CN)sc1-c1nc2nc(N)ccc2[nH]1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is LQXKBBSTWAVLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c1-5-9(18-8(4-12)14-5)11-15-6-2-3-7(13)16-10(6)17-11/h2-3H,4,12H2,1H3,(H3,13,15,16,17).
What are the key properties of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 260.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).