2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide

C14H17N3OS — CID 86920922

IUPAC2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCc1cn2cc(C)ccc2n1
InChIInChI=1S/C14H17N3OS/c1-3-6-15-14(18)10-19-9-12-8-17-7-11(2)4-5-13(17)16-12/h3-5,7-8H,1,6,9-10H2,2H3,(H,15,18)
InChIKeyVXMPBRMGXPZHGS-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.18
Rot. Bonds6

About 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide (PubChem CID 86920922) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide
PubChem CID86920922
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCc1cn2cc(C)ccc2n1
InChIInChI=1S/C14H17N3OS/c1-3-6-15-14(18)10-19-9-12-8-17-7-11(2)4-5-13(17)16-12/h3-5,7-8H,1,6,9-10H2,2H3,(H,15,18)
InChIKeyVXMPBRMGXPZHGS-UHFFFAOYSA-N
XLogP2.18
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120827427
N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86920911
N-[(2R)-2-(ethylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120654185
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
N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 119528901
N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 111471196
N-[2-(4-aminophenyl)ethyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
CID 119548962
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86984925
N-[[3-(methoxymethyl)phenyl]methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86990955
(2S)-2-[[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 120615238
N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
CID 119587695

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide (CID 86920922) is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide is C=CCNC(=O)CSCc1cn2cc(C)ccc2n1.
What is the InChIKey of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide?
The InChIKey is VXMPBRMGXPZHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-6-15-14(18)10-19-9-12-8-17-7-11(2)4-5-13(17)16-12/h3-5,7-8H,1,6,9-10H2,2H3,(H,15,18).
What are the key properties of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide?
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 86920922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).