(2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol

C16H19NO2S — CID 114743750

IUPAC(2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESCC(C)(C)c1nc(C(O)c2cccc3c2OCC3)cs1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)15-17-12(9-20-15)13(18)11-6-4-5-10-7-8-19-14(10)11/h4-6,9,13,18H,7-8H2,1-3H3
InChIKeyGXHIWAHSPVYZJS-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.46
Rot. Bonds2

About (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol

(2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol (PubChem CID 114743750) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
PubChem CID114743750
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESCC(C)(C)c1nc(C(O)c2cccc3c2OCC3)cs1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)15-17-12(9-20-15)13(18)11-6-4-5-10-7-8-19-14(10)11/h4-6,9,13,18H,7-8H2,1-3H3
InChIKeyGXHIWAHSPVYZJS-UHFFFAOYSA-N
XLogP3.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol
CID 107978736
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275
2,3-dihydro-1-benzofuran-7-yl-(2-propylpyrazol-3-yl)methanol
CID 114743786
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
CID 103448783
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-4-pyridinyl)methanol
CID 114744728
2,3-dihydro-1-benzofuran-7-yl-(5-ethylfuran-2-yl)methanol
CID 114743365
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
CID 114743334
2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol
CID 103572734

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol (CID 114743750) is (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol is CC(C)(C)c1nc(C(O)c2cccc3c2OCC3)cs1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The InChIKey is GXHIWAHSPVYZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(2,3)15-17-12(9-20-15)13(18)11-6-4-5-10-7-8-19-14(10)11/h4-6,9,13,18H,7-8H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
(2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol has a molecular weight of 289.40 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol is sourced from PubChem (CID 114743750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).