N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide

C16H23BrIN5S — CID 109485979

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N\C)NCc2cn3cc(Br)ccc3n2)CCS1.I
InChIInChI=1S/C16H22BrN5S.HI/c1-3-14-11-21(6-7-23-14)16(18-2)19-8-13-10-22-9-12(17)4-5-15(22)20-13;/h4-5,9-10,14H,3,6-8,11H2,1-2H3,(H,18,19);1H
InChIKeyWEFQTCFAEBMHRG-UHFFFAOYSA-N
MW524.27 g/mol
LogP3.62
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109485979) has the molecular formula C16H23BrIN5S and a molecular weight of 524.27 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109485979
Molecular FormulaC16H23BrIN5S
Molecular Weight524.27 g/mol
Exact Mass522.99
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N\C)NCc2cn3cc(Br)ccc3n2)CCS1.I
InChIInChI=1S/C16H22BrN5S.HI/c1-3-14-11-21(6-7-23-14)16(18-2)19-8-13-10-22-9-12(17)4-5-15(22)20-13;/h4-5,9-10,14H,3,6-8,11H2,1-2H3,(H,18,19);1H
InChIKeyWEFQTCFAEBMHRG-UHFFFAOYSA-N
XLogP3.62
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114616
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130839
2-ethyl-N'-methyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487155
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185647
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426711
2-ethyl-N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486234
2-ethyl-N'-methyl-N-(thiophen-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486137
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168072
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
CID 110992695
2-ethyl-N'-methyl-N-(quinolin-8-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109484767
2-ethyl-N-(isoquinolin-1-ylmethyl)-N'-methylthiomorpholine-4-carboximidamide
CID 109486484
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130101

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide (CID 109485979) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide is CCC1CN(/C(=N\C)NCc2cn3cc(Br)ccc3n2)CCS1.I.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is WEFQTCFAEBMHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN5S.HI/c1-3-14-11-21(6-7-23-14)16(18-2)19-8-13-10-22-9-12(17)4-5-15(22)20-13;/h4-5,9-10,14H,3,6-8,11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 524.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109485979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).