4,5-diphenyl-1,3-thiazole-2-carbaldehyde

C16H11NOS — CID 62921976

IUPAC4,5-diphenyl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H11NOS/c18-11-14-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H
InChIKeyNJCYAHKTFWYISE-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.29
Rot. Bonds3

About 4,5-diphenyl-1,3-thiazole-2-carbaldehyde

4,5-diphenyl-1,3-thiazole-2-carbaldehyde (PubChem CID 62921976) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4,5-diphenyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4,5-diphenyl-1,3-thiazole-2-carbaldehyde
PubChem CID62921976
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name4,5-diphenyl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H11NOS/c18-11-14-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H
InChIKeyNJCYAHKTFWYISE-UHFFFAOYSA-N
XLogP4.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4,5-diphenyl-1,3-thiazole-2-carbaldehyde (CID 62921976) is 4,5-diphenyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4,5-diphenyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4,5-diphenyl-1,3-thiazole-2-carbaldehyde is O=Cc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 4,5-diphenyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is NJCYAHKTFWYISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c18-11-14-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4,5-diphenyl-1,3-thiazole-2-carbaldehyde?
4,5-diphenyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 265.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 62921976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).