5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde

C12H9NO3S — CID 174833198

IUPAC5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde
SMILESO=Cc1nc(C=O)c(Cc2ccc(O)cc2)s1
InChIInChI=1S/C12H9NO3S/c14-6-10-11(17-12(7-15)13-10)5-8-1-3-9(16)4-2-8/h1-4,6-7,16H,5H2
InChIKeyQCRPRAIOTZBZBS-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.06
Rot. Bonds4

About 5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde

5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde (PubChem CID 174833198) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde
PubChem CID174833198
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Name5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde
SMILESO=Cc1nc(C=O)c(Cc2ccc(O)cc2)s1
InChIInChI=1S/C12H9NO3S/c14-6-10-11(17-12(7-15)13-10)5-8-1-3-9(16)4-2-8/h1-4,6-7,16H,5H2
InChIKeyQCRPRAIOTZBZBS-UHFFFAOYSA-N
XLogP2.06
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde (CID 174833198) is 5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde is O=Cc1nc(C=O)c(Cc2ccc(O)cc2)s1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde?
The InChIKey is QCRPRAIOTZBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-6-10-11(17-12(7-15)13-10)5-8-1-3-9(16)4-2-8/h1-4,6-7,16H,5H2.
What are the key properties of 5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde?
5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde has a molecular weight of 247.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl]-1,3-thiazole-2,4-dicarbaldehyde is sourced from PubChem (CID 174833198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).