5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde

C10H5Cl2NOS — CID 53271773

IUPAC5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C10H5Cl2NOS/c11-6-2-1-3-7(12)10(6)8-4-13-9(5-14)15-8/h1-5H
InChIKeyMVRRRWJAWFYDCS-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.93
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde

5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 53271773) has the molecular formula C10H5Cl2NOS and a molecular weight of 258.13 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde
PubChem CID53271773
Molecular FormulaC10H5Cl2NOS
Molecular Weight258.13 g/mol
Exact Mass256.95
IUPAC Name5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C10H5Cl2NOS/c11-6-2-1-3-7(12)10(6)8-4-13-9(5-14)15-8/h1-5H
InChIKeyMVRRRWJAWFYDCS-UHFFFAOYSA-N
XLogP3.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.93
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 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde (CID 53271773) is 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(-c2c(Cl)cccc2Cl)s1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is MVRRRWJAWFYDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NOS/c11-6-2-1-3-7(12)10(6)8-4-13-9(5-14)15-8/h1-5H.
What are the key properties of 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde?
5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 258.13 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 53271773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).