2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide

C10H7ClF3N3S — CID 82530667

IUPAC2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide
SMILESNC(=S)Cc1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C10H7ClF3N3S/c11-7-1-5(10(12,13)14)3-17-4-6(2-8(15)18)16-9(7)17/h1,3-4H,2H2,(H2,15,18)
InChIKeyWHQVBAFVKGYQOR-UHFFFAOYSA-N
MW293.70 g/mol
LogP2.84
Rot. Bonds2

About 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide

2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide (PubChem CID 82530667) has the molecular formula C10H7ClF3N3S and a molecular weight of 293.70 g/mol. Its IUPAC name is 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide.

Molecular Properties

Compound Name2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide
PubChem CID82530667
Molecular FormulaC10H7ClF3N3S
Molecular Weight293.70 g/mol
Exact Mass293.00
IUPAC Name2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide
SMILESNC(=S)Cc1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C10H7ClF3N3S/c11-7-1-5(10(12,13)14)3-17-4-6(2-8(15)18)16-9(7)17/h1,3-4H,2H2,(H2,15,18)
InChIKeyWHQVBAFVKGYQOR-UHFFFAOYSA-N
XLogP2.84
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 52.84
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-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 2725939
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile
CID 59377305
8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208477
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 55125983
2-(7-chloroimidazo[1,2-a]pyridin-2-yl)ethanethioamide
CID 82343240
2-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82530675
3-(bromomethyl)-8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 75176233
ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
CID 79471481
8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67335834
2-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)acetic acid;hydrochloride
CID 82530799
8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142870114

Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide?
The IUPAC name of 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide (CID 82530667) is 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide.
What is the SMILES notation for 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide?
The canonical SMILES for 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide is NC(=S)Cc1cn2cc(C(F)(F)F)cc(Cl)c2n1.
What is the InChIKey of 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide?
The InChIKey is WHQVBAFVKGYQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3S/c11-7-1-5(10(12,13)14)3-17-4-6(2-8(15)18)16-9(7)17/h1,3-4H,2H2,(H2,15,18).
What are the key properties of 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide?
2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide has a molecular weight of 293.70 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide is sourced from PubChem (CID 82530667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).