2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide

C15H20N4O3S — CID 94055154

IUPAC2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N4O3S/c1-18(13-5-7-23(21,22)11-13)10-15(20)16-8-12-9-19-6-3-2-4-14(19)17-12/h2-4,6,9,13H,5,7-8,10-11H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyJENKUQRIAGGGSU-CYBMUJFWSA-N
MW336.42 g/mol
LogP0.07
Rot. Bonds5

About 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide

2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide (PubChem CID 94055154) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
PubChem CID94055154
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N4O3S/c1-18(13-5-7-23(21,22)11-13)10-15(20)16-8-12-9-19-6-3-2-4-14(19)17-12/h2-4,6,9,13H,5,7-8,10-11H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyJENKUQRIAGGGSU-CYBMUJFWSA-N
XLogP0.07
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125171057
N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide
CID 17425093
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 118795526
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 118769438
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 86830047
formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide
CID 154904325
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 91838163
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51286450
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 27710930
3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 125158016
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide
CID 94187187

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide (CID 94055154) is 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide is CN(CC(=O)NCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The InChIKey is JENKUQRIAGGGSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18(13-5-7-23(21,22)11-13)10-15(20)16-8-12-9-19-6-3-2-4-14(19)17-12/h2-4,6,9,13H,5,7-8,10-11H2,1H3,(H,16,20)/t13-/m1/s1.
What are the key properties of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide has a molecular weight of 336.42 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 94055154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).