N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

C19H22N4OS — CID 119528901

IUPACN-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCc1ccc2nc(CSCC(=O)NCC(N)c3ccccc3)cn2c1
InChIInChI=1S/C19H22N4OS/c1-14-7-8-18-22-16(11-23(18)10-14)12-25-13-19(24)21-9-17(20)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-13,20H2,1H3,(H,21,24)
InChIKeyJYEXPPIDXLZNGL-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.69
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (PubChem CID 119528901) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
PubChem CID119528901
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCc1ccc2nc(CSCC(=O)NCC(N)c3ccccc3)cn2c1
InChIInChI=1S/C19H22N4OS/c1-14-7-8-18-22-16(11-23(18)10-14)12-25-13-19(24)21-9-17(20)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-13,20H2,1H3,(H,21,24)
InChIKeyJYEXPPIDXLZNGL-UHFFFAOYSA-N
XLogP2.69
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120827427
N-[(2R)-2-(ethylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120654185
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide
CID 86920922
N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86920911
N-[2-(4-aminophenyl)ethyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
CID 119548962
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86849285
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 86990583
(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 120615238
N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 111471196
N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
CID 119587695
N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86990955
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86984925

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (CID 119528901) is N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is Cc1ccc2nc(CSCC(=O)NCC(N)c3ccccc3)cn2c1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The InChIKey is JYEXPPIDXLZNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-7-8-18-22-16(11-23(18)10-14)12-25-13-19(24)21-9-17(20)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-13,20H2,1H3,(H,21,24).
What are the key properties of N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 119528901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).