2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide

C12H15BrN4OS — CID 665096

IUPAC2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C12H15BrN4OS/c1-3-17(4-2)10(18)7-19-12-15-9-5-8(13)6-14-11(9)16-12/h5-6H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyNCUOFRRVDXNREC-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.68
Rot. Bonds5

About 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide (PubChem CID 665096) has the molecular formula C12H15BrN4OS and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide
PubChem CID665096
Molecular FormulaC12H15BrN4OS
Molecular Weight343.25 g/mol
Exact Mass342.01
IUPAC Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C12H15BrN4OS/c1-3-17(4-2)10(18)7-19-12-15-9-5-8(13)6-14-11(9)16-12/h5-6H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyNCUOFRRVDXNREC-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Bromo-4-azabenzimidazole
CID 911578
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
ethyl N-{[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl}glycinate
CID 665339
6-bromo-2-methyl-1H-imidazo(4,5-b)pyridine
CID 1958572
N-(2-Ethylphenyl)-2-(3h-Imidazo[4,5-B]pyridin-2-Ylsulfanyl)acetamide
CID 1264291
2-(3H-Imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methyl-piperidin-1-yl)-ethanone
CID 587182
N,N-Diethyl-2-(3H-imidazo(4,5-b)pyridin-2-ylthio)acetamide
CID 665468
2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine
CID 665481
6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 708453
6-bromo-2-[(2-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 882270
N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 4527087
2-[(6-bromo-5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 6145719

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide (CID 665096) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is NCUOFRRVDXNREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS/c1-3-17(4-2)10(18)7-19-12-15-9-5-8(13)6-14-11(9)16-12/h5-6H,3-4,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide?
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 343.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 665096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).