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

C11H10F3N3S — CID 106215202

IUPAC7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2C1(C(F)(F)F)CC1
InChIInChI=1S/C11H10F3N3S/c1-6-2-5-15-8-7(6)16-9(18)17(8)10(3-4-10)11(12,13)14/h2,5H,3-4H2,1H3,(H,16,18)
InChIKeyGXCJPYMOKAPLHV-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.45
Rot. Bonds1

About 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione

7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 106215202) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID106215202
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2C1(C(F)(F)F)CC1
InChIInChI=1S/C11H10F3N3S/c1-6-2-5-15-8-7(6)16-9(18)17(8)10(3-4-10)11(12,13)14/h2,5H,3-4H2,1H3,(H,16,18)
InChIKeyGXCJPYMOKAPLHV-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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 106215202) is 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2C1(C(F)(F)F)CC1.
What is the InChIKey of 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is GXCJPYMOKAPLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c1-6-2-5-15-8-7(6)16-9(18)17(8)10(3-4-10)11(12,13)14/h2,5H,3-4H2,1H3,(H,16,18).
What are the key properties of 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione?
7-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 7-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 106215202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).