4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde

C11H8ClNOS — CID 105499892

IUPAC4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1-c1ccccc1Cl
InChIInChI=1S/C11H8ClNOS/c1-7-11(13-10(6-14)15-7)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKeyADGZHKHYHUYWKY-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.58
Rot. Bonds2

About 4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde

4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde (PubChem CID 105499892) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
PubChem CID105499892
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1-c1ccccc1Cl
InChIInChI=1S/C11H8ClNOS/c1-7-11(13-10(6-14)15-7)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKeyADGZHKHYHUYWKY-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.58
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-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde (CID 105499892) is 4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde is Cc1sc(C=O)nc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is ADGZHKHYHUYWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7-11(13-10(6-14)15-7)8-4-2-3-5-9(8)12/h2-6H,1H3.
What are the key properties of 4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde?
4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 237.71 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 105499892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).