N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride

C17H28Cl2N4OS — CID 119587695

IUPACN-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
SMILESCc1ccc2nc(CSCC(=O)NC(CN)CC(C)C)cn2c1.Cl.Cl
InChIInChI=1S/C17H26N4OS.2ClH/c1-12(2)6-14(7-18)20-17(22)11-23-10-15-9-21-8-13(3)4-5-16(21)19-15;;/h4-5,8-9,12,14H,6-7,10-11,18H2,1-3H3,(H,20,22);2*1H
InChIKeyITVXNUPKXOWAIO-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.21
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride (PubChem CID 119587695) has the molecular formula C17H28Cl2N4OS and a molecular weight of 407.41 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
PubChem CID119587695
Molecular FormulaC17H28Cl2N4OS
Molecular Weight407.41 g/mol
Exact Mass406.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
SMILESCc1ccc2nc(CSCC(=O)NC(CN)CC(C)C)cn2c1.Cl.Cl
InChIInChI=1S/C17H26N4OS.2ClH/c1-12(2)6-14(7-18)20-17(22)11-23-10-15-9-21-8-13(3)4-5-16(21)19-15;;/h4-5,8-9,12,14H,6-7,10-11,18H2,1-3H3,(H,20,22);2*1H
InChIKeyITVXNUPKXOWAIO-UHFFFAOYSA-N
XLogP3.21
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86920911
N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120827427
(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 120615238
N-[2-(4-aminophenyl)ethyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
CID 119548962
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-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 119528901
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 86990583
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 136554167
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86849285
N-(5-acetamido-2-fluorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86984807
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119427592

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride (CID 119587695) is N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride is Cc1ccc2nc(CSCC(=O)NC(CN)CC(C)C)cn2c1.Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride?
The InChIKey is ITVXNUPKXOWAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS.2ClH/c1-12(2)6-14(7-18)20-17(22)11-23-10-15-9-21-8-13(3)4-5-16(21)19-15;;/h4-5,8-9,12,14H,6-7,10-11,18H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride has a molecular weight of 407.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride is sourced from PubChem (CID 119587695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).