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

C19H15N3S — CID 39134156

IUPAC2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1c(-c2ccc3ccccc3c2)nc2ccccn12
InChIInChI=1S/C19H15N3S/c20-17(23)12-16-19(21-18-7-3-4-10-22(16)18)15-9-8-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,23)
InChIKeyOKSBOMFIDMJYLZ-UHFFFAOYSA-N
MW317.42 g/mol
LogP3.98
Rot. Bonds3

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

2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (PubChem CID 39134156) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
PubChem CID39134156
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1c(-c2ccc3ccccc3c2)nc2ccccn12
InChIInChI=1S/C19H15N3S/c20-17(23)12-16-19(21-18-7-3-4-10-22(16)18)15-9-8-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,23)
InChIKeyOKSBOMFIDMJYLZ-UHFFFAOYSA-N
XLogP3.98
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 53.98
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-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127805
2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82055254
2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
CID 59999905
3-[4-[3,5-bis[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 131846664
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134102
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
2-[2-(1,3-benzodioxol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127953
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134123
4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid
CID 23735799

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (CID 39134156) is 2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is NC(=S)Cc1c(-c2ccc3ccccc3c2)nc2ccccn12.
What is the InChIKey of 2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The InChIKey is OKSBOMFIDMJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c20-17(23)12-16-19(21-18-7-3-4-10-22(16)18)15-9-8-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,23).
What are the key properties of 2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide has a molecular weight of 317.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 39134156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).