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

C13H17N3S — CID 82030163

IUPAC2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCC(C)c1nc2ccccn2c1C(C)C(N)=S
InChIInChI=1S/C13H17N3S/c1-8(2)11-12(9(3)13(14)17)16-7-5-4-6-10(16)15-11/h4-9H,1-3H3,(H2,14,17)
InChIKeyPVDAAXMBFQQKSH-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.85
Rot. Bonds3

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

2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide (PubChem CID 82030163) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
PubChem CID82030163
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCC(C)c1nc2ccccn2c1C(C)C(N)=S
InChIInChI=1S/C13H17N3S/c1-8(2)11-12(9(3)13(14)17)16-7-5-4-6-10(16)15-11/h4-9H,1-3H3,(H2,14,17)
InChIKeyPVDAAXMBFQQKSH-UHFFFAOYSA-N
XLogP2.85
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.85
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)propanethioamide
CID 82030268
2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile
CID 82029947
2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030186
(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82504617
3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine
CID 82356248
2-bromo-3-propan-2-ylimidazo[1,2-a]pyridine
CID 84701100
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577
2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 141336153
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 83693870
2-(1-chloroethyl)-3-methylimidazo[1,2-a]pyridine
CID 66646648
ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738235
2,2,2-trifluoro-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82029187

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The IUPAC name of 2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide (CID 82030163) is 2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide.
What is the SMILES notation for 2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The canonical SMILES for 2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide is CC(C)c1nc2ccccn2c1C(C)C(N)=S.
What is the InChIKey of 2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The InChIKey is PVDAAXMBFQQKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8(2)11-12(9(3)13(14)17)16-7-5-4-6-10(16)15-11/h4-9H,1-3H3,(H2,14,17).
What are the key properties of 2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide has a molecular weight of 247.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide is sourced from PubChem (CID 82030163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).