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

C18H13NO2S — CID 46943021

IUPAC[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C18H13NO2S/c20-17(12-6-2-1-3-7-12)18-19-14(11-22-18)16-10-13-8-4-5-9-15(13)21-16/h1-11,17,20H
InChIKeyOIRXSMKGKVEOGS-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.64
Rot. Bonds3

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

[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol (PubChem CID 46943021) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
PubChem CID46943021
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C18H13NO2S/c20-17(12-6-2-1-3-7-12)18-19-14(11-22-18)16-10-13-8-4-5-9-15(13)21-16/h1-11,17,20H
InChIKeyOIRXSMKGKVEOGS-UHFFFAOYSA-N
XLogP4.64
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol?
The IUPAC name of [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol (CID 46943021) is [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol.
What is the SMILES notation for [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol?
The canonical SMILES for [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol is OC(c1ccccc1)c1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol?
The InChIKey is OIRXSMKGKVEOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c20-17(12-6-2-1-3-7-12)18-19-14(11-22-18)16-10-13-8-4-5-9-15(13)21-16/h1-11,17,20H.
What are the key properties of [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol?
[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol has a molecular weight of 307.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol is sourced from PubChem (CID 46943021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).