N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine

C11H14ClN3S — CID 115641531

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1cnc2ccc(Cl)cn12
InChIInChI=1S/C11H14ClN3S/c1-16-5-4-13-6-10-7-14-11-3-2-9(12)8-15(10)11/h2-3,7-8,13H,4-6H2,1H3
InChIKeyYUILFJXGALIJOV-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.44
Rot. Bonds5

About N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine

N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine (PubChem CID 115641531) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
PubChem CID115641531
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1cnc2ccc(Cl)cn12
InChIInChI=1S/C11H14ClN3S/c1-16-5-4-13-6-10-7-14-11-3-2-9(12)8-15(10)11/h2-3,7-8,13H,4-6H2,1H3
InChIKeyYUILFJXGALIJOV-UHFFFAOYSA-N
XLogP2.44
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-(furan-3-yl)ethanamine
CID 166355584
(2S)-2-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]propan-1-ol
CID 103773842
4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962540
3-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111434688
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
CID 79175722
6-chloro-3-fluoroimidazo[1,2-a]pyridine
CID 138109250
(2R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 103884204
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 63378460
2-methyl-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115747139
azocan-1-yl-[6-chloro-3-[(3-methylsulfanylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42513954
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111468076

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine (CID 115641531) is N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine is CSCCNCc1cnc2ccc(Cl)cn12.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine?
The InChIKey is YUILFJXGALIJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-16-5-4-13-6-10-7-14-11-3-2-9(12)8-15(10)11/h2-3,7-8,13H,4-6H2,1H3.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine?
N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine has a molecular weight of 255.77 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 115641531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).