2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide

C9H7Cl2N3S — CID 82530701

IUPAC2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1cnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C9H7Cl2N3S/c10-5-1-7(11)9-13-3-6(2-8(12)15)14(9)4-5/h1,3-4H,2H2,(H2,12,15)
InChIKeyVELIYHHDYSUBKV-UHFFFAOYSA-N
MW260.15 g/mol
LogP2.47
Rot. Bonds2

About 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide

2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide (PubChem CID 82530701) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide
PubChem CID82530701
Molecular FormulaC9H7Cl2N3S
Molecular Weight260.15 g/mol
Exact Mass258.97
IUPAC Name2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1cnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C9H7Cl2N3S/c10-5-1-7(11)9-13-3-6(2-8(12)15)14(9)4-5/h1,3-4H,2H2,(H2,12,15)
InChIKeyVELIYHHDYSUBKV-UHFFFAOYSA-N
XLogP2.47
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.47
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

(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)methanol
CID 82069651
(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82069649
2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82529365
2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide
CID 82343240
3-bromo-6,8-dichloro-2-ethylimidazo[1,2-a]pyridine
CID 154666719
7,9-dichloropyrido[1,2-a]pyrimidin-4-one
CID 23246547
2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
CID 82151278
2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide
CID 82530667
2-(3-chloro-4-fluorophenyl)ethanethioamide
CID 82671537
1-(8-chloroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83884133
6-bromo-8-chloroimidazo[1,2-a]pyridin-3-amine
CID 82530663
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide (CID 82530701) is 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide is NC(=S)Cc1cnc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The InChIKey is VELIYHHDYSUBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S/c10-5-1-7(11)9-13-3-6(2-8(12)15)14(9)4-5/h1,3-4H,2H2,(H2,12,15).
What are the key properties of 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide has a molecular weight of 260.15 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 82530701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).