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

C10H9F4N3S — CID 106290431

IUPAC5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(CC(F)(F)C(F)F)c2n1
InChIInChI=1S/C10H9F4N3S/c1-5-2-3-6-7(15-5)17(9(18)16-6)4-10(13,14)8(11)12/h2-3,8H,4H2,1H3,(H,16,18)
InChIKeyYYYJBVROYLLYOE-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.30
Rot. Bonds3

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

5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 106290431) has the molecular formula C10H9F4N3S and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID106290431
Molecular FormulaC10H9F4N3S
Molecular Weight279.26 g/mol
Exact Mass279.05
IUPAC Name5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(CC(F)(F)C(F)F)c2n1
InChIInChI=1S/C10H9F4N3S/c1-5-2-3-6-7(15-5)17(9(18)16-6)4-10(13,14)8(11)12/h2-3,8H,4H2,1H3,(H,16,18)
InChIKeyYYYJBVROYLLYOE-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'}

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Related Compounds

3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290389
3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
4-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-benzimidazole-2-thione
CID 106290410
3-[(4-bromophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138348
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138142
5-methyl-3-(2-methylbutan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138122
5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106215221
3-[(2-chlorophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138495
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106374848
5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106405602
2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide
CID 81138200

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 106290431) is 5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(CC(F)(F)C(F)F)c2n1.
What is the InChIKey of 5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is YYYJBVROYLLYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3S/c1-5-2-3-6-7(15-5)17(9(18)16-6)4-10(13,14)8(11)12/h2-3,8H,4H2,1H3,(H,16,18).
What are the key properties of 5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
5-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 5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 106290431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).