6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine

C12H14F2N2OS — CID 170434833

IUPAC6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2nccn2cc1SC(C)(C)C(F)F
InChIInChI=1S/C12H14F2N2OS/c1-12(2,11(13)14)18-9-7-16-5-4-15-10(16)6-8(9)17-3/h4-7,11H,1-3H3
InChIKeySTHHVLHWAIVGTB-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.48
Rot. Bonds4

About 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine

6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine (PubChem CID 170434833) has the molecular formula C12H14F2N2OS and a molecular weight of 272.32 g/mol. Its IUPAC name is 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine
PubChem CID170434833
Molecular FormulaC12H14F2N2OS
Molecular Weight272.32 g/mol
Exact Mass272.08
IUPAC Name6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2nccn2cc1SC(C)(C)C(F)F
InChIInChI=1S/C12H14F2N2OS/c1-12(2,11(13)14)18-9-7-16-5-4-15-10(16)6-8(9)17-3/h4-7,11H,1-3H3
InChIKeySTHHVLHWAIVGTB-UHFFFAOYSA-N
XLogP3.48
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine (CID 170434833) is 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine is COc1cc2nccn2cc1SC(C)(C)C(F)F.
What is the InChIKey of 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine?
The InChIKey is STHHVLHWAIVGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS/c1-12(2,11(13)14)18-9-7-16-5-4-15-10(16)6-8(9)17-3/h4-7,11H,1-3H3.
What are the key properties of 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine?
6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine has a molecular weight of 272.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoro-2-methylpropan-2-yl)sulfanyl-7-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 170434833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).