2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde

C11H7Cl2NOS — CID 60998346

IUPAC2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H7Cl2NOS/c12-8-2-1-7(10(13)4-8)3-11-14-9(5-15)6-16-11/h1-2,4-6H,3H2
InChIKeyANNDKSZMGLCSQU-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.85
Rot. Bonds3

About 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde

2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 60998346) has the molecular formula C11H7Cl2NOS and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde
PubChem CID60998346
Molecular FormulaC11H7Cl2NOS
Molecular Weight272.16 g/mol
Exact Mass270.96
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H7Cl2NOS/c12-8-2-1-7(10(13)4-8)3-11-14-9(5-15)6-16-11/h1-2,4-6H,3H2
InChIKeyANNDKSZMGLCSQU-UHFFFAOYSA-N
XLogP3.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.85
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 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde (CID 60998346) is 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde is O=Cc1csc(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is ANNDKSZMGLCSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NOS/c12-8-2-1-7(10(13)4-8)3-11-14-9(5-15)6-16-11/h1-2,4-6H,3H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde?
2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 272.16 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 60998346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).