5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione

C11H10F3N3S — CID 106215221

IUPAC5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3(C(F)(F)F)CC3)c2n1
InChIInChI=1S/C11H10F3N3S/c1-6-2-3-7-8(15-6)17(9(18)16-7)10(4-5-10)11(12,13)14/h2-3H,4-5H2,1H3,(H,16,18)
InChIKeyTWIFRAHJVBZWBD-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.45
Rot. Bonds1

About 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione

5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 106215221) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID106215221
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3(C(F)(F)F)CC3)c2n1
InChIInChI=1S/C11H10F3N3S/c1-6-2-3-7-8(15-6)17(9(18)16-7)10(4-5-10)11(12,13)14/h2-3H,4-5H2,1H3,(H,16,18)
InChIKeyTWIFRAHJVBZWBD-UHFFFAOYSA-N
XLogP3.45
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.45
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

5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 81137984
7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106215202
3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290431
3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
5-methyl-3-(2-methylbutan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138122
3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138659
N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide
CID 81138143
2-(2-chloroethyl)-5-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
CID 106216975
5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114174222
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106374848
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 106215221) is 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(C3(C(F)(F)F)CC3)c2n1.
What is the InChIKey of 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is TWIFRAHJVBZWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c1-6-2-3-7-8(15-6)17(9(18)16-7)10(4-5-10)11(12,13)14/h2-3H,4-5H2,1H3,(H,16,18).
What are the key properties of 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione?
5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 273.28 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 106215221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).