2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide

C9H8FN3S — CID 82529365

IUPAC2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1cnc2c(F)cccn12
InChIInChI=1S/C9H8FN3S/c10-7-2-1-3-13-6(4-8(11)14)5-12-9(7)13/h1-3,5H,4H2,(H2,11,14)
InChIKeyKRNHZOIEKVDYQL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.30
Rot. Bonds2

About 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide

2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide (PubChem CID 82529365) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide
PubChem CID82529365
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1cnc2c(F)cccn12
InChIInChI=1S/C9H8FN3S/c10-7-2-1-3-13-6(4-8(11)14)5-12-9(7)13/h1-3,5H,4H2,(H2,11,14)
InChIKeyKRNHZOIEKVDYQL-UHFFFAOYSA-N
XLogP1.30
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.30
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-fluoroimidazo[1,2-a]pyridin-3-yl)ethanimidamide
CID 83877973
8-fluoro-N'-hydroxyimidazo[1,2-a]pyridine-3-carboximidamide
CID 83878689
8-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 55265827
9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115025656
2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 83883604
1-(8-chloroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83884133
8-fluoroimidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 84698128
(8-chloroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 55266455
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146975
1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 70723716
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 122565641
8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 119020976

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide (CID 82529365) is 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide is NC(=S)Cc1cnc2c(F)cccn12.
What is the InChIKey of 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The InChIKey is KRNHZOIEKVDYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c10-7-2-1-3-13-6(4-8(11)14)5-12-9(7)13/h1-3,5H,4H2,(H2,11,14).
What are the key properties of 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide has a molecular weight of 209.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 82529365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).