3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol

C10H9F3N2S2 — CID 156742112

IUPAC3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol
SMILESCCSc1c(S)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C10H9F3N2S2/c1-2-17-9-8(16)14-7-4-3-6(5-15(7)9)10(11,12)13/h3-5,16H,2H2,1H3
InChIKeyHJUQLDGEQZQOMJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.75
Rot. Bonds2

About 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol

3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol (PubChem CID 156742112) has the molecular formula C10H9F3N2S2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol.

Molecular Properties

Compound Name3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol
PubChem CID156742112
Molecular FormulaC10H9F3N2S2
Molecular Weight278.32 g/mol
Exact Mass278.02
IUPAC Name3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol
SMILESCCSc1c(S)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C10H9F3N2S2/c1-2-17-9-8(16)14-7-4-3-6(5-15(7)9)10(11,12)13/h3-5,16H,2H2,1H3
InChIKeyHJUQLDGEQZQOMJ-UHFFFAOYSA-N
XLogP3.75
TPSA17.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine
CID 151101401
3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163221579
N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide
CID 170092848
6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one
CID 157313301
3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 144859954
2-amino-N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-5-(trifluoromethyl)benzamide
CID 170092905
3-ethylsulfonyl-2-fluoro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163663312
[2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060770
2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82060759
1-[2-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 84711114
2-methyl-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propan-2-ol
CID 110932451
2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 43154745

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol?
The IUPAC name of 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol (CID 156742112) is 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol.
What is the SMILES notation for 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol?
The canonical SMILES for 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol is CCSc1c(S)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol?
The InChIKey is HJUQLDGEQZQOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S2/c1-2-17-9-8(16)14-7-4-3-6(5-15(7)9)10(11,12)13/h3-5,16H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol?
3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol has a molecular weight of 278.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol is sourced from PubChem (CID 156742112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).