2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide

C19H21N3OS — CID 82030178

IUPAC2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
SMILESCCOc1ccc(-c2nc3cccc(C)n3c2C(C)C(N)=S)cc1
InChIInChI=1S/C19H21N3OS/c1-4-23-15-10-8-14(9-11-15)17-18(13(3)19(20)24)22-12(2)6-5-7-16(22)21-17/h5-11,13H,4H2,1-3H3,(H2,20,24)
InChIKeyKCYLVLRIILGZLI-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.10
Rot. Bonds5

About 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide

2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide (PubChem CID 82030178) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
PubChem CID82030178
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
SMILESCCOc1ccc(-c2nc3cccc(C)n3c2C(C)C(N)=S)cc1
InChIInChI=1S/C19H21N3OS/c1-4-23-15-10-8-14(9-11-15)17-18(13(3)19(20)24)22-12(2)6-5-7-16(22)21-17/h5-11,13H,4H2,1-3H3,(H2,20,24)
InChIKeyKCYLVLRIILGZLI-UHFFFAOYSA-N
XLogP4.10
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199340
3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine
CID 82029806
2-[3-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-2-yl]ethanamine
CID 28912619
2-(3-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63617940
1-(5-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029690
3-[5-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035083
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030263
6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453144
[2-(4-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199332
2-[2-(4-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82030016
3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
CID 83222885
3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 39126201

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide (CID 82030178) is 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide is CCOc1ccc(-c2nc3cccc(C)n3c2C(C)C(N)=S)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide?
The InChIKey is KCYLVLRIILGZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-4-23-15-10-8-14(9-11-15)17-18(13(3)19(20)24)22-12(2)6-5-7-16(22)21-17/h5-11,13H,4H2,1-3H3,(H2,20,24).
What are the key properties of 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide?
2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide has a molecular weight of 339.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide is sourced from PubChem (CID 82030178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).