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

C11H10BrN5S — CID 79306867

IUPAC6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ncc(Cn2c(N)nc3cc(Br)cnc32)s1
InChIInChI=1S/C11H10BrN5S/c1-6-14-4-8(18-6)5-17-10-9(16-11(17)13)2-7(12)3-15-10/h2-4H,5H2,1H3,(H2,13,16)
InChIKeyZLPHWKZEKVGUBF-UHFFFAOYSA-N
MW324.21 g/mol
LogP2.59
Rot. Bonds2

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

6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306867) has the molecular formula C11H10BrN5S and a molecular weight of 324.21 g/mol. Its IUPAC name is 6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79306867
Molecular FormulaC11H10BrN5S
Molecular Weight324.21 g/mol
Exact Mass322.98
IUPAC Name6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ncc(Cn2c(N)nc3cc(Br)cnc32)s1
InChIInChI=1S/C11H10BrN5S/c1-6-14-4-8(18-6)5-17-10-9(16-11(17)13)2-7(12)3-15-10/h2-4H,5H2,1H3,(H2,13,16)
InChIKeyZLPHWKZEKVGUBF-UHFFFAOYSA-N
XLogP2.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 79306867) is 6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine is Cc1ncc(Cn2c(N)nc3cc(Br)cnc32)s1.
What is the InChIKey of 6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is ZLPHWKZEKVGUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5S/c1-6-14-4-8(18-6)5-17-10-9(16-11(17)13)2-7(12)3-15-10/h2-4H,5H2,1H3,(H2,13,16).
What are the key properties of 6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 324.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).