2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide

C9H8ClN3S — CID 82343240

IUPAC2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide
SMILESNC(=S)Cc1cn2ccc(Cl)cc2n1
InChIInChI=1S/C9H8ClN3S/c10-6-1-2-13-5-7(4-8(11)14)12-9(13)3-6/h1-3,5H,4H2,(H2,11,14)
InChIKeyBPDDPSJDPAGCSM-UHFFFAOYSA-N
MW225.70 g/mol
LogP1.82
Rot. Bonds2

About 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide

2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide (PubChem CID 82343240) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide
PubChem CID82343240
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide
SMILESNC(=S)Cc1cn2ccc(Cl)cc2n1
InChIInChI=1S/C9H8ClN3S/c10-6-1-2-13-5-7(4-8(11)14)12-9(13)3-6/h1-3,5H,4H2,(H2,11,14)
InChIKeyBPDDPSJDPAGCSM-UHFFFAOYSA-N
XLogP1.82
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-chloroimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82343234
7-chloro-2-(ethoxymethyl)imidazo[1,2-a]pyridine
CID 123431873
[4-(7-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]methanamine
CID 82343156
7-chloro-N'-hydroxyimidazo[1,2-a]pyridine-2-carboximidamide
CID 83885243
7-chloro-2-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 25333696
7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117133939
2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide
CID 82530667
(7-chloroimidazo[1,2-a]pyridin-2-yl)-phenylmethanone
CID 67273335
7-chloroimidazo[1,2-a]pyridine-2-carbaldehyde
CID 55266936
7-chloro-2-(oxan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117134668
2-(7-bromoimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82529989
5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 17469223

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide?
The IUPAC name of 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide (CID 82343240) is 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide.
What is the SMILES notation for 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide?
The canonical SMILES for 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide is NC(=S)Cc1cn2ccc(Cl)cc2n1.
What is the InChIKey of 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide?
The InChIKey is BPDDPSJDPAGCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-6-1-2-13-5-7(4-8(11)14)12-9(13)3-6/h1-3,5H,4H2,(H2,11,14).
What are the key properties of 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide?
2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide has a molecular weight of 225.70 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide is sourced from PubChem (CID 82343240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).