2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde

C10H7NO2S — CID 151534488

IUPAC2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde
SMILESO=Cc1cc(-c2nccs2)ccc1O
InChIInChI=1S/C10H7NO2S/c12-6-8-5-7(1-2-9(8)13)10-11-3-4-14-10/h1-6,13H
InChIKeyPXEJFENZMYMESK-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.33
Rot. Bonds2

About 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde

2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde (PubChem CID 151534488) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde
PubChem CID151534488
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde
SMILESO=Cc1cc(-c2nccs2)ccc1O
InChIInChI=1S/C10H7NO2S/c12-6-8-5-7(1-2-9(8)13)10-11-3-4-14-10/h1-6,13H
InChIKeyPXEJFENZMYMESK-UHFFFAOYSA-N
XLogP2.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.33
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 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde (CID 151534488) is 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde is O=Cc1cc(-c2nccs2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde?
The InChIKey is PXEJFENZMYMESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-6-8-5-7(1-2-9(8)13)10-11-3-4-14-10/h1-6,13H.
What are the key properties of 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde?
2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde has a molecular weight of 205.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(1,3-thiazol-2-yl)benzaldehyde is sourced from PubChem (CID 151534488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).