5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde

C5H3F2NOS — CID 84651507

IUPAC5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)s1
InChIInChI=1S/C5H3F2NOS/c6-5(7)3-1-8-4(2-9)10-3/h1-2,5H
InChIKeyOYZOTEDPXXTMBD-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.89
Rot. Bonds2

About 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde

5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 84651507) has the molecular formula C5H3F2NOS and a molecular weight of 163.15 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID84651507
Molecular FormulaC5H3F2NOS
Molecular Weight163.15 g/mol
Exact Mass162.99
IUPAC Name5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)s1
InChIInChI=1S/C5H3F2NOS/c6-5(7)3-1-8-4(2-9)10-3/h1-2,5H
InChIKeyOYZOTEDPXXTMBD-UHFFFAOYSA-N
XLogP1.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.89
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-Methyl-1,3-thiazole-2-carbaldehyde
CID 13968795
2-(Trifluoromethyl)-1,3-thiazole-5-carboxaldehyde
CID 17750413
5-Ethyl-1,3-thiazole-2-carbaldehyde
CID 45083407
5-(Trifluoromethyl)-1,3-thiazole-2-carbaldehyde
CID 53418329
2-(1,1-Difluoroethyl)-1,3-thiazole-5-carbaldehyde
CID 84767280
5-((Dimethylamino)methyl)-1,3-thiazole-2-carbaldehyde
CID 119030950
Lithium 5-(difluoromethyl)-1,3-thiazole-2-carboxylate
CID 137935297
5-(Hydroxymethyl)thiazole-2-carbaldehyde
CID 126719503
5-((Methylsulfanyl)methyl)-1,3-thiazole-2-carbaldehyde
CID 119056807
Lithium 5-(trifluoromethyl)-1,3-thiazole-2-carboxylate
CID 132371517
2-(3,3,3-Trifluoropropyl)-1,3-thiazole-5-carbaldehyde
CID 58378362
2,2,2-Trifluoro-1-(5-methylthiazol-2-yl)ethanone
CID 59693882

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde (CID 84651507) is 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is OYZOTEDPXXTMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NOS/c6-5(7)3-1-8-4(2-9)10-3/h1-2,5H.
What are the key properties of 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde?
5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 163.15 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 84651507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).