2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide

C12H14BrN3S — CID 39134094

IUPAC2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESCC(C)c1nc2ccc(Br)cn2c1CC(N)=S
InChIInChI=1S/C12H14BrN3S/c1-7(2)12-9(5-10(14)17)16-6-8(13)3-4-11(16)15-12/h3-4,6-7H,5H2,1-2H3,(H2,14,17)
InChIKeyYGDNJQRJJBZJMP-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.05
Rot. Bonds3

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

2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (PubChem CID 39134094) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
PubChem CID39134094
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESCC(C)c1nc2ccc(Br)cn2c1CC(N)=S
InChIInChI=1S/C12H14BrN3S/c1-7(2)12-9(5-10(14)17)16-6-8(13)3-4-11(16)15-12/h3-4,6-7H,5H2,1-2H3,(H2,14,17)
InChIKeyYGDNJQRJJBZJMP-UHFFFAOYSA-N
XLogP3.05
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (CID 39134094) is 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is CC(C)c1nc2ccc(Br)cn2c1CC(N)=S.
What is the InChIKey of 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The InChIKey is YGDNJQRJJBZJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-7(2)12-9(5-10(14)17)16-6-8(13)3-4-11(16)15-12/h3-4,6-7H,5H2,1-2H3,(H2,14,17).
What are the key properties of 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide has a molecular weight of 312.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 39134094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).