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

C11H9NOS — CID 3614025

IUPAC4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCc1ccc(-c2csc(C=O)n2)cc1
InChIInChI=1S/C11H9NOS/c1-8-2-4-9(5-3-8)10-7-14-11(6-13)12-10/h2-7H,1H3
InChIKeyNIYYLXDRLQFYMS-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.93
Rot. Bonds2

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

4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 3614025) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde
PubChem CID3614025
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCc1ccc(-c2csc(C=O)n2)cc1
InChIInChI=1S/C11H9NOS/c1-8-2-4-9(5-3-8)10-7-14-11(6-13)12-10/h2-7H,1H3
InChIKeyNIYYLXDRLQFYMS-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.93
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 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde (CID 3614025) is 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde is Cc1ccc(-c2csc(C=O)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is NIYYLXDRLQFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8-2-4-9(5-3-8)10-7-14-11(6-13)12-10/h2-7H,1H3.
What are the key properties of 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde?
4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 3614025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).