2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde

C6H4F3NOS — CID 106784054

IUPAC2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5-10-3-4(12-5)1-2-11/h2-3H,1H2
InChIKeyWEWHMKBJQWXBQN-UHFFFAOYSA-N
MW195.16 g/mol
LogP1.90
Rot. Bonds2

About 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde

2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 106784054) has the molecular formula C6H4F3NOS and a molecular weight of 195.16 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
PubChem CID106784054
Molecular FormulaC6H4F3NOS
Molecular Weight195.16 g/mol
Exact Mass195.00
IUPAC Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5-10-3-4(12-5)1-2-11/h2-3H,1H2
InChIKeyWEWHMKBJQWXBQN-UHFFFAOYSA-N
XLogP1.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 51.90
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

2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal
CID 106784126
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 106784034
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
5-(3-chlorobutyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784217
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol
CID 106784203
N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
CID 106784073
2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde
CID 83874030
ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
CID 106784039
N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106784172
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120834528
2-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106785008

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde (CID 106784054) is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde is O=CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is WEWHMKBJQWXBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)5-10-3-4(12-5)1-2-11/h2-3H,1H2.
What are the key properties of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde?
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 195.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 106784054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).