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

C17H13NOS — CID 79817395

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
SMILESO=Cc1ccccc1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13NOS/c19-11-15-9-5-4-8-14(15)10-17-18-16(12-20-17)13-6-2-1-3-7-13/h1-9,11-12H,10H2
InChIKeySWTKYYDBIMDWAT-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.21
Rot. Bonds4

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

2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde (PubChem CID 79817395) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
PubChem CID79817395
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
SMILESO=Cc1ccccc1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13NOS/c19-11-15-9-5-4-8-14(15)10-17-18-16(12-20-17)13-6-2-1-3-7-13/h1-9,11-12H,10H2
InChIKeySWTKYYDBIMDWAT-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'}

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Related Compounds

5-chloro-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79826170
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide
CID 54046250
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
4-phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine
CID 106887618
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
CID 83130460
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde
CID 87822274
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde (CID 79817395) is 2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde is O=Cc1ccccc1Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde?
The InChIKey is SWTKYYDBIMDWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-11-15-9-5-4-8-14(15)10-17-18-16(12-20-17)13-6-2-1-3-7-13/h1-9,11-12H,10H2.
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde?
2-[(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 2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde is sourced from PubChem (CID 79817395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).