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

C14H12N4S — CID 82055254

IUPAC2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1c(-c2ccccn2)nc2ccccn12
InChIInChI=1S/C14H12N4S/c15-12(19)9-11-14(10-5-1-3-7-16-10)17-13-6-2-4-8-18(11)13/h1-8H,9H2,(H2,15,19)
InChIKeyJSNGISRETZDCAR-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.22
Rot. Bonds3

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

2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (PubChem CID 82055254) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
PubChem CID82055254
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1c(-c2ccccn2)nc2ccccn12
InChIInChI=1S/C14H12N4S/c15-12(19)9-11-14(10-5-1-3-7-16-10)17-13-6-2-4-8-18(11)13/h1-8H,9H2,(H2,15,19)
InChIKeyJSNGISRETZDCAR-UHFFFAOYSA-N
XLogP2.22
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134156
2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127805
2-(8-fluoro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82529255
4-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)morpholine
CID 162665760
(5-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82060518
1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)urea
CID 126831670
2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82529975
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methanol
CID 39132836
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
8-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82529168
2-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 82530298

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (CID 82055254) is 2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is NC(=S)Cc1c(-c2ccccn2)nc2ccccn12.
What is the InChIKey of 2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The InChIKey is JSNGISRETZDCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-12(19)9-11-14(10-5-1-3-7-16-10)17-13-6-2-4-8-18(11)13/h1-8H,9H2,(H2,15,19).
What are the key properties of 2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide has a molecular weight of 268.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 82055254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).