2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide

C10H10FN3S — CID 82530388

IUPAC2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESCc1nc2ccc(F)cn2c1CC(N)=S
InChIInChI=1S/C10H10FN3S/c1-6-8(4-9(12)15)14-5-7(11)2-3-10(14)13-6/h2-3,5H,4H2,1H3,(H2,12,15)
InChIKeyUJMYKHRBFXUPQV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.61
Rot. Bonds2

About 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide

2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (PubChem CID 82530388) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
PubChem CID82530388
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESCc1nc2ccc(F)cn2c1CC(N)=S
InChIInChI=1S/C10H10FN3S/c1-6-8(4-9(12)15)14-5-7(11)2-3-10(14)13-6/h2-3,5H,4H2,1H3,(H2,12,15)
InChIKeyUJMYKHRBFXUPQV-UHFFFAOYSA-N
XLogP1.61
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.61
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-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (CID 82530388) is 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is Cc1nc2ccc(F)cn2c1CC(N)=S.
What is the InChIKey of 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The InChIKey is UJMYKHRBFXUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-6-8(4-9(12)15)14-5-7(11)2-3-10(14)13-6/h2-3,5H,4H2,1H3,(H2,12,15).
What are the key properties of 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide has a molecular weight of 223.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 82530388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).