2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide

C13H16ClN3S — CID 82030268

IUPAC2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCC(C)c1nc2ccc(Cl)cn2c1C(C)C(N)=S
InChIInChI=1S/C13H16ClN3S/c1-7(2)11-12(8(3)13(15)18)17-6-9(14)4-5-10(17)16-11/h4-8H,1-3H3,(H2,15,18)
InChIKeyIEMBCUXRUYMJMH-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.50
Rot. Bonds3

About 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide

2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide (PubChem CID 82030268) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide.

Molecular Properties

Compound Name2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
PubChem CID82030268
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCC(C)c1nc2ccc(Cl)cn2c1C(C)C(N)=S
InChIInChI=1S/C13H16ClN3S/c1-7(2)11-12(8(3)13(15)18)17-6-9(14)4-5-10(17)16-11/h4-8H,1-3H3,(H2,15,18)
InChIKeyIEMBCUXRUYMJMH-UHFFFAOYSA-N
XLogP3.50
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.50
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-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134126
2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030163
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030263
2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030186
1-(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanol
CID 82029408
6-chloro-N-cyclohexyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808986
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
6-chloro-2-(1-methoxypropan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 116503174
2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134094
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83870127
1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 39148341
2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405149

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The IUPAC name of 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide (CID 82030268) is 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide.
What is the SMILES notation for 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The canonical SMILES for 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide is CC(C)c1nc2ccc(Cl)cn2c1C(C)C(N)=S.
What is the InChIKey of 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The InChIKey is IEMBCUXRUYMJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-7(2)11-12(8(3)13(15)18)17-6-9(14)4-5-10(17)16-11/h4-8H,1-3H3,(H2,15,18).
What are the key properties of 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide has a molecular weight of 281.81 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide is sourced from PubChem (CID 82030268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).