[5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine

C11H10BrN5S — CID 55248992

IUPAC[5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C11H10BrN5S/c1-5-9(18-8(3-13)15-5)11-16-7-2-6(12)4-14-10(7)17-11/h2,4H,3,13H2,1H3,(H,14,16,17)
InChIKeyHJYJUFAGANOOAH-UHFFFAOYSA-N
MW324.21 g/mol
LogP2.61
Rot. Bonds2

About [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine

[5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 55248992) has the molecular formula C11H10BrN5S and a molecular weight of 324.21 g/mol. Its IUPAC name is [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID55248992
Molecular FormulaC11H10BrN5S
Molecular Weight324.21 g/mol
Exact Mass322.98
IUPAC Name[5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C11H10BrN5S/c1-5-9(18-8(3-13)15-5)11-16-7-2-6(12)4-14-10(7)17-11/h2,4H,3,13H2,1H3,(H,14,16,17)
InChIKeyHJYJUFAGANOOAH-UHFFFAOYSA-N
XLogP2.61
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (CID 55248992) is [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is HJYJUFAGANOOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5S/c1-5-9(18-8(3-13)15-5)11-16-7-2-6(12)4-14-10(7)17-11/h2,4H,3,13H2,1H3,(H,14,16,17).
What are the key properties of [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 324.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55248992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).