2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde

C10H8N2O2S — CID 84685655

IUPAC2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESNc1nc(C=O)c(-c2ccc(O)cc2)s1
InChIInChI=1S/C10H8N2O2S/c11-10-12-8(5-13)9(15-10)6-1-3-7(14)4-2-6/h1-5,14H,(H2,11,12)
InChIKeyLISXUNDZXVEICQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.91
Rot. Bonds2

About 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde

2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 84685655) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID84685655
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESNc1nc(C=O)c(-c2ccc(O)cc2)s1
InChIInChI=1S/C10H8N2O2S/c11-10-12-8(5-13)9(15-10)6-1-3-7(14)4-2-6/h1-5,14H,(H2,11,12)
InChIKeyLISXUNDZXVEICQ-UHFFFAOYSA-N
XLogP1.91
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
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 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde (CID 84685655) is 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde is Nc1nc(C=O)c(-c2ccc(O)cc2)s1.
What is the InChIKey of 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is LISXUNDZXVEICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-10-12-8(5-13)9(15-10)6-1-3-7(14)4-2-6/h1-5,14H,(H2,11,12).
What are the key properties of 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 220.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84685655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).