1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

C8H6F2N2OS — CID 112574147

IUPAC1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cn2ccsc2n1)C(F)F
InChIInChI=1S/C8H6F2N2OS/c9-7(10)6(13)3-5-4-12-1-2-14-8(12)11-5/h1-2,4,7H,3H2
InChIKeyMSPGCQFHPUMODK-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.77
Rot. Bonds3

About 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (PubChem CID 112574147) has the molecular formula C8H6F2N2OS and a molecular weight of 216.21 g/mol. Its IUPAC name is 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
PubChem CID112574147
Molecular FormulaC8H6F2N2OS
Molecular Weight216.21 g/mol
Exact Mass216.02
IUPAC Name1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cn2ccsc2n1)C(F)F
InChIInChI=1S/C8H6F2N2OS/c9-7(10)6(13)3-5-4-12-1-2-14-8(12)11-5/h1-2,4,7H,3H2
InChIKeyMSPGCQFHPUMODK-UHFFFAOYSA-N
XLogP1.77
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The IUPAC name of 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (CID 112574147) is 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.
What is the SMILES notation for 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The canonical SMILES for 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is O=C(Cc1cn2ccsc2n1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The InChIKey is MSPGCQFHPUMODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2OS/c9-7(10)6(13)3-5-4-12-1-2-14-8(12)11-5/h1-2,4,7H,3H2.
What are the key properties of 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one has a molecular weight of 216.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is sourced from PubChem (CID 112574147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).