2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline

C17H20N4O2S2 — CID 14329453

IUPAC2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline
SMILESCCS(=O)c1ccc2[nH]c(S(=O)Cc3ccccc3N(C)C)nc2n1
InChIInChI=1S/C17H20N4O2S2/c1-4-24(22)15-10-9-13-16(19-15)20-17(18-13)25(23)11-12-7-5-6-8-14(12)21(2)3/h5-10H,4,11H2,1-3H3,(H,18,19,20)
InChIKeyQCFWYSJKKMAGIH-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.46
Rot. Bonds6

About 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline

2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline (PubChem CID 14329453) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline
PubChem CID14329453
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline
SMILESCCS(=O)c1ccc2[nH]c(S(=O)Cc3ccccc3N(C)C)nc2n1
InChIInChI=1S/C17H20N4O2S2/c1-4-24(22)15-10-9-13-16(19-15)20-17(18-13)25(23)11-12-7-5-6-8-14(12)21(2)3/h5-10H,4,11H2,1-3H3,(H,18,19,20)
InChIKeyQCFWYSJKKMAGIH-UHFFFAOYSA-N
XLogP2.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline with MolForge

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Related Compounds

2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline
CID 19820955
2-[(5-butoxy-6-ethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylaniline
CID 14578618
N-ethyl-2-(pyridin-2-ylmethylsulfinyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 110183098
N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline
CID 14839450
[2-[[2-(dimethylamino)-5-methoxyphenyl]methylsulfinyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 57107128
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline
CID 14578613
2-[(4-methylfuran-3-yl)methylsulfinyl]-1H-benzimidazole
CID 67700268
2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline
CID 56992031
2-(6,7-dihydro-1H-benzimidazol-2-ylsulfinylmethyl)-N,N,4-trimethylaniline
CID 70397298
2-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylsulfinylmethyl)-4-methoxy-N,N-dimethylaniline
CID 70425313
2-heptyl-N,N-dimethylaniline
CID 69464807
4-chloro-2-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfinylmethyl]-N,N-dimethylaniline
CID 54554595

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline (CID 14329453) is 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline is CCS(=O)c1ccc2[nH]c(S(=O)Cc3ccccc3N(C)C)nc2n1.
What is the InChIKey of 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline?
The InChIKey is QCFWYSJKKMAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-4-24(22)15-10-9-13-16(19-15)20-17(18-13)25(23)11-12-7-5-6-8-14(12)21(2)3/h5-10H,4,11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline?
2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline has a molecular weight of 376.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 14329453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).