3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde

C10H6ClNOS — CID 122476771

IUPAC3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1csnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClNOS/c11-9-3-1-7(2-4-9)10-8(5-13)6-14-12-10/h1-6H
InChIKeyFOHZNNBWEMAXQL-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.28
Rot. Bonds2

About 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde

3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde (PubChem CID 122476771) has the molecular formula C10H6ClNOS and a molecular weight of 223.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde
PubChem CID122476771
Molecular FormulaC10H6ClNOS
Molecular Weight223.68 g/mol
Exact Mass222.99
IUPAC Name3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1csnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClNOS/c11-9-3-1-7(2-4-9)10-8(5-13)6-14-12-10/h1-6H
InChIKeyFOHZNNBWEMAXQL-UHFFFAOYSA-N
XLogP3.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 53.28
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 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde?
The IUPAC name of 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde (CID 122476771) is 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde?
The canonical SMILES for 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde is O=Cc1csnc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde?
The InChIKey is FOHZNNBWEMAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNOS/c11-9-3-1-7(2-4-9)10-8(5-13)6-14-12-10/h1-6H.
What are the key properties of 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde?
3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde has a molecular weight of 223.68 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,2-thiazole-4-carbaldehyde is sourced from PubChem (CID 122476771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).