2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol

C19H24N2OS — CID 13173173

IUPAC2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol
SMILESCC(C)(C)c1cc(-c2cn3ccsc3n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H24N2OS/c1-18(2,3)13-9-12(10-14(16(13)22)19(4,5)6)15-11-21-7-8-23-17(21)20-15/h7-11,22H,1-6H3
InChIKeyKCALOMBBUXBPOY-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.36
Rot. Bonds1

About 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol

2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol (PubChem CID 13173173) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol
PubChem CID13173173
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol
SMILESCC(C)(C)c1cc(-c2cn3ccsc3n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H24N2OS/c1-18(2,3)13-9-12(10-14(16(13)22)19(4,5)6)15-11-21-7-8-23-17(21)20-15/h7-11,22H,1-6H3
InChIKeyKCALOMBBUXBPOY-UHFFFAOYSA-N
XLogP5.36
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol?
The IUPAC name of 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol (CID 13173173) is 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol.
What is the SMILES notation for 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol?
The canonical SMILES for 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol is CC(C)(C)c1cc(-c2cn3ccsc3n2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol?
The InChIKey is KCALOMBBUXBPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-18(2,3)13-9-12(10-14(16(13)22)19(4,5)6)15-11-21-7-8-23-17(21)20-15/h7-11,22H,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol?
2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol has a molecular weight of 328.48 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-ylphenol is sourced from PubChem (CID 13173173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).