2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide

C19H21N3S — CID 39127972

IUPAC2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
SMILESCc1cccn2c(CC(N)=S)c(-c3ccc(C(C)C)cc3)nc12
InChIInChI=1S/C19H21N3S/c1-12(2)14-6-8-15(9-7-14)18-16(11-17(20)23)22-10-4-5-13(3)19(22)21-18/h4-10,12H,11H2,1-3H3,(H2,20,23)
InChIKeyILDWLGBBYWEMQY-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.26
Rot. Bonds4

About 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide

2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide (PubChem CID 39127972) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide.

Molecular Properties

Compound Name2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
PubChem CID39127972
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
SMILESCc1cccn2c(CC(N)=S)c(-c3ccc(C(C)C)cc3)nc12
InChIInChI=1S/C19H21N3S/c1-12(2)14-6-8-15(9-7-14)18-16(11-17(20)23)22-10-4-5-13(3)19(22)21-18/h4-10,12H,11H2,1-3H3,(H2,20,23)
InChIKeyILDWLGBBYWEMQY-UHFFFAOYSA-N
XLogP4.26
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.26
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-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134209
[3-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-8-yl]methanamine
CID 82059845
CID 89392592
CID 89392592
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82529440
8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63616942
2-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866506
2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127805
2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134156
(8-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82506589
3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126353
2-(3,4-dichlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 56687055
2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 5297530

Frequently Asked Questions

What is the IUPAC name of 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The IUPAC name of 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide (CID 39127972) is 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide.
What is the SMILES notation for 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The canonical SMILES for 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide is Cc1cccn2c(CC(N)=S)c(-c3ccc(C(C)C)cc3)nc12.
What is the InChIKey of 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
The InChIKey is ILDWLGBBYWEMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-12(2)14-6-8-15(9-7-14)18-16(11-17(20)23)22-10-4-5-13(3)19(22)21-18/h4-10,12H,11H2,1-3H3,(H2,20,23).
What are the key properties of 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide?
2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide has a molecular weight of 323.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide is sourced from PubChem (CID 39127972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).