1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol

C9H5F6IN2OS — CID 166003389

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol
SMILESCc1nc2sc(C(O)(C(F)(F)F)C(F)(F)F)cn2c1I
InChIInChI=1S/C9H5F6IN2OS/c1-3-5(16)18-2-4(20-6(18)17-3)7(19,8(10,11)12)9(13,14)15/h2,19H,1H3
InChIKeyLKIGFPDAEOEVPN-UHFFFAOYSA-N
MW430.11 g/mol
LogP3.62
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol (PubChem CID 166003389) has the molecular formula C9H5F6IN2OS and a molecular weight of 430.11 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol
PubChem CID166003389
Molecular FormulaC9H5F6IN2OS
Molecular Weight430.11 g/mol
Exact Mass429.91
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol
SMILESCc1nc2sc(C(O)(C(F)(F)F)C(F)(F)F)cn2c1I
InChIInChI=1S/C9H5F6IN2OS/c1-3-5(16)18-2-4(20-6(18)17-3)7(19,8(10,11)12)9(13,14)15/h2,19H,1H3
InChIKeyLKIGFPDAEOEVPN-UHFFFAOYSA-N
XLogP3.62
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.11
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-iodo-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-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol (CID 166003389) is 1,1,1,3,3,3-hexafluoro-2-(5-iodo-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-(5-iodo-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-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol is Cc1nc2sc(C(O)(C(F)(F)F)C(F)(F)F)cn2c1I.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol?
The InChIKey is LKIGFPDAEOEVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6IN2OS/c1-3-5(16)18-2-4(20-6(18)17-3)7(19,8(10,11)12)9(13,14)15/h2,19H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol has a molecular weight of 430.11 g/mol, XLogP of 3.62, 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-(5-iodo-6-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 166003389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).