2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide

C19H21N3S — CID 39127805

IUPAC2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
SMILESCC(C)(C)c1ccc(-c2nc3ccccn3c2CC(N)=S)cc1
InChIInChI=1S/C19H21N3S/c1-19(2,3)14-9-7-13(8-10-14)18-15(12-16(20)23)22-11-5-4-6-17(22)21-18/h4-11H,12H2,1-3H3,(H2,20,23)
InChIKeyCLFAKHOXRDTBIG-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.13
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide

2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide (PubChem CID 39127805) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
PubChem CID39127805
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
SMILESCC(C)(C)c1ccc(-c2nc3ccccn3c2CC(N)=S)cc1
InChIInChI=1S/C19H21N3S/c1-19(2,3)14-9-7-13(8-10-14)18-15(12-16(20)23)22-11-5-4-6-17(22)21-18/h4-11H,12H2,1-3H3,(H2,20,23)
InChIKeyCLFAKHOXRDTBIG-UHFFFAOYSA-N
XLogP4.13
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134156
2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618253
2-(4-tert-butylphenyl)-3-methylimidazo[1,2-a]pyridine
CID 66561784
2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82055254
2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518642
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
2-(4-tert-butylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
CID 135156152
2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127972
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 92939186

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The IUPAC name of 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide (CID 39127805) is 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide is CC(C)(C)c1ccc(-c2nc3ccccn3c2CC(N)=S)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The InChIKey is CLFAKHOXRDTBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-19(2,3)14-9-7-13(8-10-14)18-15(12-16(20)23)22-11-5-4-6-17(22)21-18/h4-11H,12H2,1-3H3,(H2,20,23).
What are the key properties of 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide has a molecular weight of 323.47 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide is sourced from PubChem (CID 39127805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).