1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol

C14H7F7N2OS — CID 3415122

IUPAC1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
SMILESOC(c1cn2cc(-c3ccc(F)cc3)nc2s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H7F7N2OS/c15-8-3-1-7(2-4-8)9-5-23-6-10(25-11(23)22-9)12(24,13(16,17)18)14(19,20)21/h1-6,24H
InChIKeyDZIRHNRLUBKLIT-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.51
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol (PubChem CID 3415122) has the molecular formula C14H7F7N2OS and a molecular weight of 384.28 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
PubChem CID3415122
Molecular FormulaC14H7F7N2OS
Molecular Weight384.28 g/mol
Exact Mass384.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
SMILESOC(c1cn2cc(-c3ccc(F)cc3)nc2s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H7F7N2OS/c15-8-3-1-7(2-4-8)9-5-23-6-10(25-11(23)22-9)12(24,13(16,17)18)14(19,20)21/h1-6,24H
InChIKeyDZIRHNRLUBKLIT-UHFFFAOYSA-N
XLogP4.51
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol (CID 3415122) is 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol is OC(c1cn2cc(-c3ccc(F)cc3)nc2s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol?
The InChIKey is DZIRHNRLUBKLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7N2OS/c15-8-3-1-7(2-4-8)9-5-23-6-10(25-11(23)22-9)12(24,13(16,17)18)14(19,20)21/h1-6,24H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol has a molecular weight of 384.28 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 3415122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).