4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde

C17H13NOS — CID 79817502

IUPAC4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H13NOS/c19-11-14-8-6-13(7-9-14)10-17-18-16(12-20-17)15-4-2-1-3-5-15/h1-9,11-12H,10H2
InChIKeyOBAMJAUZVMHMEZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.21
Rot. Bonds4

About 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde

4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde (PubChem CID 79817502) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
PubChem CID79817502
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H13NOS/c19-11-14-8-6-13(7-9-14)10-17-18-16(12-20-17)15-4-2-1-3-5-15/h1-9,11-12H,10H2
InChIKeyOBAMJAUZVMHMEZ-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817395
4-[[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]benzaldehyde
CID 88975471
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817066
2-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817296
5-chloro-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79826170

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde?
The IUPAC name of 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde (CID 79817502) is 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde.
What is the SMILES notation for 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde?
The canonical SMILES for 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde is O=Cc1ccc(Cc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde?
The InChIKey is OBAMJAUZVMHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-11-14-8-6-13(7-9-14)10-17-18-16(12-20-17)15-4-2-1-3-5-15/h1-9,11-12H,10H2.
What are the key properties of 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde?
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde has a molecular weight of 279.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde is sourced from PubChem (CID 79817502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).