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

C10H9F4N3S — CID 106290389

IUPAC7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC(F)(F)C(F)F
InChIInChI=1S/C10H9F4N3S/c1-5-2-3-15-7-6(5)16-9(18)17(7)4-10(13,14)8(11)12/h2-3,8H,4H2,1H3,(H,16,18)
InChIKeyLZMUCHMMDKTERC-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.30
Rot. Bonds3

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

7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 106290389) has the molecular formula C10H9F4N3S and a molecular weight of 279.26 g/mol. Its IUPAC name is 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID106290389
Molecular FormulaC10H9F4N3S
Molecular Weight279.26 g/mol
Exact Mass279.05
IUPAC Name7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC(F)(F)C(F)F
InChIInChI=1S/C10H9F4N3S/c1-5-2-3-15-7-6(5)16-9(18)17(7)4-10(13,14)8(11)12/h2-3,8H,4H2,1H3,(H,16,18)
InChIKeyLZMUCHMMDKTERC-UHFFFAOYSA-N
XLogP3.30
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 106290389) is 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2CC(F)(F)C(F)F.
What is the InChIKey of 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is LZMUCHMMDKTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3S/c1-5-2-3-15-7-6(5)16-9(18)17(7)4-10(13,14)8(11)12/h2-3,8H,4H2,1H3,(H,16,18).
What are the key properties of 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 279.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 106290389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).