2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole

C14H9BrN4S — CID 172682989

IUPAC2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole
SMILESBrc1nc2c(Cn3cnc4cccnc43)cccc2s1
InChIInChI=1S/C14H9BrN4S/c15-14-18-12-9(3-1-5-11(12)20-14)7-19-8-17-10-4-2-6-16-13(10)19/h1-6,8H,7H2
InChIKeyAQSOEYDIINEKAO-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.85
Rot. Bonds2

About 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole

2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole (PubChem CID 172682989) has the molecular formula C14H9BrN4S and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole
PubChem CID172682989
Molecular FormulaC14H9BrN4S
Molecular Weight345.23 g/mol
Exact Mass343.97
IUPAC Name2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole
SMILESBrc1nc2c(Cn3cnc4cccnc43)cccc2s1
InChIInChI=1S/C14H9BrN4S/c15-14-18-12-9(3-1-5-11(12)20-14)7-19-8-17-10-4-2-6-16-13(10)19/h1-6,8H,7H2
InChIKeyAQSOEYDIINEKAO-UHFFFAOYSA-N
XLogP3.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole?
The IUPAC name of 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole (CID 172682989) is 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole?
The canonical SMILES for 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole is Brc1nc2c(Cn3cnc4cccnc43)cccc2s1.
What is the InChIKey of 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole?
The InChIKey is AQSOEYDIINEKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4S/c15-14-18-12-9(3-1-5-11(12)20-14)7-19-8-17-10-4-2-6-16-13(10)19/h1-6,8H,7H2.
What are the key properties of 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole?
2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole has a molecular weight of 345.23 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazole is sourced from PubChem (CID 172682989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).