2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde

C17H12ClNO2S — CID 87822274

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H12ClNO2S/c18-14-7-5-12(6-8-14)15-11-22-17(19-15)10-21-16-4-2-1-3-13(16)9-20/h1-9,11H,10H2
InChIKeyCFZIRDNWWWELGS-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.86
Rot. Bonds5

About 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde (PubChem CID 87822274) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde
PubChem CID87822274
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H12ClNO2S/c18-14-7-5-12(6-8-14)15-11-22-17(19-15)10-21-16-4-2-1-3-13(16)9-20/h1-9,11H,10H2
InChIKeyCFZIRDNWWWELGS-UHFFFAOYSA-N
XLogP4.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.86
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

4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
CID 2747349
5-chloro-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79826170
4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 73385550
(4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
CID 45141291
2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817395
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 19194510

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde (CID 87822274) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde is O=Cc1ccccc1OCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde?
The InChIKey is CFZIRDNWWWELGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c18-14-7-5-12(6-8-14)15-11-22-17(19-15)10-21-16-4-2-1-3-13(16)9-20/h1-9,11H,10H2.
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde has a molecular weight of 329.81 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 87822274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).