5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde

C17H13NO2S — CID 88899191

IUPAC5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2csc(Cc3ccccc3)n2)ccc1O
InChIInChI=1S/C17H13NO2S/c19-10-14-9-13(6-7-16(14)20)15-11-21-17(18-15)8-12-4-2-1-3-5-12/h1-7,9-11,20H,8H2
InChIKeyWVHRMQYKRROIGA-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.92
Rot. Bonds4

About 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde

5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde (PubChem CID 88899191) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde
PubChem CID88899191
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2csc(Cc3ccccc3)n2)ccc1O
InChIInChI=1S/C17H13NO2S/c19-10-14-9-13(6-7-16(14)20)15-11-21-17(18-15)8-12-4-2-1-3-5-12/h1-7,9-11,20H,8H2
InChIKeyWVHRMQYKRROIGA-UHFFFAOYSA-N
XLogP3.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde (CID 88899191) is 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde is O=Cc1cc(-c2csc(Cc3ccccc3)n2)ccc1O.
What is the InChIKey of 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde?
The InChIKey is WVHRMQYKRROIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-10-14-9-13(6-7-16(14)20)15-11-21-17(18-15)8-12-4-2-1-3-5-12/h1-7,9-11,20H,8H2.
What are the key properties of 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde?
5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde has a molecular weight of 295.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzyl-1,3-thiazol-4-yl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 88899191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).