4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde

C11H7F2NOS — CID 125454003

IUPAC4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde
SMILESO=Cc1ccc(-c2cnc(C(F)F)s2)cc1
InChIInChI=1S/C11H7F2NOS/c12-10(13)11-14-5-9(16-11)8-3-1-7(6-15)2-4-8/h1-6,10H
InChIKeyQCBQGGWHSTZQTO-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.56
Rot. Bonds3

About 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde

4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde (PubChem CID 125454003) has the molecular formula C11H7F2NOS and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde
PubChem CID125454003
Molecular FormulaC11H7F2NOS
Molecular Weight239.25 g/mol
Exact Mass239.02
IUPAC Name4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde
SMILESO=Cc1ccc(-c2cnc(C(F)F)s2)cc1
InChIInChI=1S/C11H7F2NOS/c12-10(13)11-14-5-9(16-11)8-3-1-7(6-15)2-4-8/h1-6,10H
InChIKeyQCBQGGWHSTZQTO-UHFFFAOYSA-N
XLogP3.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.56
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

4-(1,3-Thiazol-2-yl)benzaldehyde
CID 10535655
5-Phenyl-1,3-thiazole-2-carbaldehyde
CID 13968796
4-(4-Methyl-1,3-thiazol-5-yl)benzaldehyde
CID 54753388
6,6,6-Trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one
CID 164678856
Phenyl-5-thiazolylmethanone
CID 14042333
(2-Methyl-5-thiazolyl)phenylmethanone
CID 53933218
4-Fluorophenyl-2-(2-Trifluoromethyl-5-Thiazolyl)Ethanone
CID 15239224
1-(4-Chlorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 15239242
1-(4-Fluorophenyl)-2-(5-thiazolyl)ethanone
CID 19909712
2-(4-Trifluoromethylphenyl)thiazole-5-carbaldehyde
CID 21051240
2-Fluoro-4-(1,3-thiazol-2-yl)benzaldehyde
CID 46930070
5-(4-Fluorophenyl)thiazole-2-carbaldehyde
CID 53271813

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde?
The IUPAC name of 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde (CID 125454003) is 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde.
What is the SMILES notation for 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde?
The canonical SMILES for 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde is O=Cc1ccc(-c2cnc(C(F)F)s2)cc1.
What is the InChIKey of 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde?
The InChIKey is QCBQGGWHSTZQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NOS/c12-10(13)11-14-5-9(16-11)8-3-1-7(6-15)2-4-8/h1-6,10H.
What are the key properties of 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde?
4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde has a molecular weight of 239.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde is sourced from PubChem (CID 125454003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).