2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide

C18H19N3O2S — CID 39127888

IUPAC2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
SMILESCOc1ccc(OC)c(-c2nc3ccc(C)cn3c2CC(N)=S)c1
InChIInChI=1S/C18H19N3O2S/c1-11-4-7-17-20-18(14(9-16(19)24)21(17)10-11)13-8-12(22-2)5-6-15(13)23-3/h4-8,10H,9H2,1-3H3,(H2,19,24)
InChIKeyHUQYUCRDUWMIIM-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.16
Rot. Bonds5

About 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide

2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide (PubChem CID 39127888) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
PubChem CID39127888
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
SMILESCOc1ccc(OC)c(-c2nc3ccc(C)cn3c2CC(N)=S)c1
InChIInChI=1S/C18H19N3O2S/c1-11-4-7-17-20-18(14(9-16(19)24)21(17)10-11)13-8-12(22-2)5-6-15(13)23-3/h4-8,10H,9H2,1-3H3,(H2,19,24)
InChIKeyHUQYUCRDUWMIIM-UHFFFAOYSA-N
XLogP3.16
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
[3-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 82356101
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125918
2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203589
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
6-bromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618087
3-[(4-methoxy-2-methylphenyl)methyl]-6-methyl-2-phenylimidazo[1,2-a]pyridine
CID 51359385
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134102
2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127619
[3-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82354571
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 55248194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide (CID 39127888) is 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide is COc1ccc(OC)c(-c2nc3ccc(C)cn3c2CC(N)=S)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The InChIKey is HUQYUCRDUWMIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-4-7-17-20-18(14(9-16(19)24)21(17)10-11)13-8-12(22-2)5-6-15(13)23-3/h4-8,10H,9H2,1-3H3,(H2,19,24).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide?
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide has a molecular weight of 341.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide is sourced from PubChem (CID 39127888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).