2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde

C10H7NO2S — CID 133058764

IUPAC2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1[nH]c(=O)sc1-c1ccccc1
InChIInChI=1S/C10H7NO2S/c12-6-8-9(14-10(13)11-8)7-4-2-1-3-5-7/h1-6H,(H,11,13)
InChIKeyJIJYEOKGBRNOGG-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.92
Rot. Bonds2

About 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde

2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde (PubChem CID 133058764) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde
PubChem CID133058764
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1[nH]c(=O)sc1-c1ccccc1
InChIInChI=1S/C10H7NO2S/c12-6-8-9(14-10(13)11-8)7-4-2-1-3-5-7/h1-6H,(H,11,13)
InChIKeyJIJYEOKGBRNOGG-UHFFFAOYSA-N
XLogP1.92
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
CID 15359783
2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde
CID 130867538
4-oxo-2,6-diphenylthiopyran-3-carbaldehyde
CID 12530022
5-phenyl-1,2-thiazole-4-carbaldehyde
CID 83817875
2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde
CID 82521365
5-methyl-4-methylsulfonyl-3-phenyl-1H-pyrrole-2-carbaldehyde
CID 59987008
5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one
CID 81455355
4-phenyl-3H-1,3-thiazol-2-one
CID 698903
4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one
CID 54413505
2-bromo-5-phenylthiophene-3-carbaldehyde
CID 14113891
1,1'-biphenyl;methanethioic S-acid
CID 157330643
carbonic acid;2,3,4,5-tetraphenylthiophene
CID 23188696

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde (CID 133058764) is 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde is O=Cc1[nH]c(=O)sc1-c1ccccc1.
What is the InChIKey of 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde?
The InChIKey is JIJYEOKGBRNOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-6-8-9(14-10(13)11-8)7-4-2-1-3-5-7/h1-6H,(H,11,13).
What are the key properties of 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde?
2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde has a molecular weight of 205.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 133058764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).