[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol

C23H23NO3S — CID 54324997

IUPAC[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol
SMILESCC(C)(C)c1csc(-c2cc3cc(COc4ccccc4CO)ccc3o2)n1
InChIInChI=1S/C23H23NO3S/c1-23(2,3)21-14-28-22(24-21)20-11-17-10-15(8-9-19(17)27-20)13-26-18-7-5-4-6-16(18)12-25/h4-11,14,25H,12-13H2,1-3H3
InChIKeySUHFBTXESQJWOT-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.93
Rot. Bonds5

About [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol

[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol (PubChem CID 54324997) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol
PubChem CID54324997
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol
SMILESCC(C)(C)c1csc(-c2cc3cc(COc4ccccc4CO)ccc3o2)n1
InChIInChI=1S/C23H23NO3S/c1-23(2,3)21-14-28-22(24-21)20-11-17-10-15(8-9-19(17)27-20)13-26-18-7-5-4-6-16(18)12-25/h4-11,14,25H,12-13H2,1-3H3
InChIKeySUHFBTXESQJWOT-UHFFFAOYSA-N
XLogP5.93
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol?
The IUPAC name of [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol (CID 54324997) is [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol?
The canonical SMILES for [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol is CC(C)(C)c1csc(-c2cc3cc(COc4ccccc4CO)ccc3o2)n1.
What is the InChIKey of [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol?
The InChIKey is SUHFBTXESQJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-23(2,3)21-14-28-22(24-21)20-11-17-10-15(8-9-19(17)27-20)13-26-18-7-5-4-6-16(18)12-25/h4-11,14,25H,12-13H2,1-3H3.
What are the key properties of [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol?
[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol has a molecular weight of 393.51 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 54324997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).