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

C10H10ClN3S — CID 82529440

IUPAC2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESCc1nc2c(Cl)cccn2c1CC(N)=S
InChIInChI=1S/C10H10ClN3S/c1-6-8(5-9(12)15)14-4-2-3-7(11)10(14)13-6/h2-4H,5H2,1H3,(H2,12,15)
InChIKeyRTJVESHKCAZDQU-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.12
Rot. Bonds2

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

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (PubChem CID 82529440) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
PubChem CID82529440
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESCc1nc2c(Cl)cccn2c1CC(N)=S
InChIInChI=1S/C10H10ClN3S/c1-6-8(5-9(12)15)14-4-2-3-7(11)10(14)13-6/h2-4H,5H2,1H3,(H2,12,15)
InChIKeyRTJVESHKCAZDQU-UHFFFAOYSA-N
XLogP2.12
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.12
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

(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82529517
8-chloro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 82529717
8-chloro-2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 82529387
2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127972
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 83891491
ethyl 2-[8-chloro-3-(cyanomethyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 82529282
2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134209
8-chloro-2-methyl-3-phenylimidazo[1,2-a]pyridine
CID 103095206
(2-tert-butyl-8-chloroimidazo[1,2-a]pyridin-3-yl)methanol
CID 82529526
2,6-dichloro-N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 67767428
2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82530388
2,6-dichloro-N-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 54237289

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (CID 82529440) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is Cc1nc2c(Cl)cccn2c1CC(N)=S.
What is the InChIKey of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The InChIKey is RTJVESHKCAZDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-6-8(5-9(12)15)14-4-2-3-7(11)10(14)13-6/h2-4H,5H2,1H3,(H2,12,15).
What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide has a molecular weight of 239.73 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 82529440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).