[6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

C9H8F4N2O2S — CID 16780366

IUPAC[6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(OCC(F)(F)C(F)F)nc2sccn12
InChIInChI=1S/C9H8F4N2O2S/c10-7(11)9(12,13)4-17-6-5(3-16)15-1-2-18-8(15)14-6/h1-2,7,16H,3-4H2
InChIKeyYNICDJVRRDBKHO-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.17
Rot. Bonds5

About [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 16780366) has the molecular formula C9H8F4N2O2S and a molecular weight of 284.23 g/mol. Its IUPAC name is [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID16780366
Molecular FormulaC9H8F4N2O2S
Molecular Weight284.23 g/mol
Exact Mass284.02
IUPAC Name[6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(OCC(F)(F)C(F)F)nc2sccn12
InChIInChI=1S/C9H8F4N2O2S/c10-7(11)9(12,13)4-17-6-5(3-16)15-1-2-18-8(15)14-6/h1-2,7,16H,3-4H2
InChIKeyYNICDJVRRDBKHO-UHFFFAOYSA-N
XLogP2.17
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 16780366) is [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol is OCc1c(OCC(F)(F)C(F)F)nc2sccn12.
What is the InChIKey of [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is YNICDJVRRDBKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O2S/c10-7(11)9(12,13)4-17-6-5(3-16)15-1-2-18-8(15)14-6/h1-2,7,16H,3-4H2.
What are the key properties of [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 284.23 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 16780366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).