4-(1,3-thiazol-4-yl)benzaldehyde

C10H7NOS — CID 15045330

IUPAC4-(1,3-thiazol-4-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cscn2)cc1
InChIInChI=1S/C10H7NOS/c12-5-8-1-3-9(4-2-8)10-6-13-7-11-10/h1-7H
InChIKeyWDMCSJWJYXTEJI-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.62
Rot. Bonds2

About 4-(1,3-thiazol-4-yl)benzaldehyde

4-(1,3-thiazol-4-yl)benzaldehyde (PubChem CID 15045330) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1,3-thiazol-4-yl)benzaldehyde
PubChem CID15045330
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name4-(1,3-thiazol-4-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cscn2)cc1
InChIInChI=1S/C10H7NOS/c12-5-8-1-3-9(4-2-8)10-6-13-7-11-10/h1-7H
InChIKeyWDMCSJWJYXTEJI-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(1,3-thiazol-4-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-yl)benzaldehyde?
The IUPAC name of 4-(1,3-thiazol-4-yl)benzaldehyde (CID 15045330) is 4-(1,3-thiazol-4-yl)benzaldehyde.
What is the SMILES notation for 4-(1,3-thiazol-4-yl)benzaldehyde?
The canonical SMILES for 4-(1,3-thiazol-4-yl)benzaldehyde is O=Cc1ccc(-c2cscn2)cc1.
What is the InChIKey of 4-(1,3-thiazol-4-yl)benzaldehyde?
The InChIKey is WDMCSJWJYXTEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c12-5-8-1-3-9(4-2-8)10-6-13-7-11-10/h1-7H.
What are the key properties of 4-(1,3-thiazol-4-yl)benzaldehyde?
4-(1,3-thiazol-4-yl)benzaldehyde has a molecular weight of 189.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-yl)benzaldehyde is sourced from PubChem (CID 15045330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).