[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol

C19H15NO3S — CID 46948046

IUPAC[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C19H15NO3S/c1-22-14-8-6-12(7-9-14)18(21)19-20-15(11-24-19)17-10-13-4-2-3-5-16(13)23-17/h2-11,18,21H,1H3
InChIKeyWXDZWIOBGFZKIX-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.65
Rot. Bonds4

About [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol

[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol (PubChem CID 46948046) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol
PubChem CID46948046
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C19H15NO3S/c1-22-14-8-6-12(7-9-14)18(21)19-20-15(11-24-19)17-10-13-4-2-3-5-16(13)23-17/h2-11,18,21H,1H3
InChIKeyWXDZWIOBGFZKIX-UHFFFAOYSA-N
XLogP4.65
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol?
The IUPAC name of [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol (CID 46948046) is [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2nc(-c3cc4ccccc4o3)cs2)cc1.
What is the InChIKey of [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol?
The InChIKey is WXDZWIOBGFZKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-22-14-8-6-12(7-9-14)18(21)19-20-15(11-24-19)17-10-13-4-2-3-5-16(13)23-17/h2-11,18,21H,1H3.
What are the key properties of [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol?
[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol has a molecular weight of 337.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 46948046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).