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

C9H6F6N2OS — CID 4238978

IUPAC1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol
SMILESCc1cn2cc(C(O)(C(F)(F)F)C(F)(F)F)sc2n1
InChIInChI=1S/C9H6F6N2OS/c1-4-2-17-3-5(19-6(17)16-4)7(18,8(10,11)12)9(13,14)15/h2-3,18H,1H3
InChIKeyAMWBXSIGTONWOX-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.02
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol (PubChem CID 4238978) has the molecular formula C9H6F6N2OS and a molecular weight of 304.22 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol
PubChem CID4238978
Molecular FormulaC9H6F6N2OS
Molecular Weight304.22 g/mol
Exact Mass304.01
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol
SMILESCc1cn2cc(C(O)(C(F)(F)F)C(F)(F)F)sc2n1
InChIInChI=1S/C9H6F6N2OS/c1-4-2-17-3-5(19-6(17)16-4)7(18,8(10,11)12)9(13,14)15/h2-3,18H,1H3
InChIKeyAMWBXSIGTONWOX-UHFFFAOYSA-N
XLogP3.02
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.02
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-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol (CID 4238978) is 1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[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-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol is Cc1cn2cc(C(O)(C(F)(F)F)C(F)(F)F)sc2n1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol?
The InChIKey is AMWBXSIGTONWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2OS/c1-4-2-17-3-5(19-6(17)16-4)7(18,8(10,11)12)9(13,14)15/h2-3,18H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol has a molecular weight of 304.22 g/mol, XLogP of 3.02, 1 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-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 4238978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).