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

C17H13NO2S — CID 54431299

IUPAC2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C17H13NO2S/c19-10-14-12-21-17(18-14)15-8-4-5-9-16(15)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyRKQAXMJMHFUBNI-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.20
Rot. Bonds5

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

2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 54431299) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID54431299
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C17H13NO2S/c19-10-14-12-21-17(18-14)15-8-4-5-9-16(15)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyRKQAXMJMHFUBNI-UHFFFAOYSA-N
XLogP4.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
CID 13115153
4-[[4-(2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 58127521
5-dimethoxyphosphoryl-4-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole
CID 44623575
6-[(1S)-1-aminopropyl]-5-phenylmethoxypyridine-2-carbaldehyde
CID 87405739
6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde
CID 87406660
N-[4-[[[2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 70096084
6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3829026
N-benzyl-2-[2-[(3,5-difluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46067384
2-[2-[(3-chlorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42866356
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
CID 172650288

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde (CID 54431299) is 2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(-c2ccccc2OCc2ccccc2)n1.
What is the InChIKey of 2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is RKQAXMJMHFUBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-10-14-12-21-17(18-14)15-8-4-5-9-16(15)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2.
What are the key properties of 2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde?
2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 295.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 54431299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).