5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde

C7H6F3NOS — CID 130296350

IUPAC5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
SMILESCCc1sc(C(F)(F)F)nc1C=O
InChIInChI=1S/C7H6F3NOS/c1-2-5-4(3-12)11-6(13-5)7(8,9)10/h3H,2H2,1H3
InChIKeyFOJDQQVKCBQBDC-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.54
Rot. Bonds2

About 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde

5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 130296350) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
PubChem CID130296350
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
SMILESCCc1sc(C(F)(F)F)nc1C=O
InChIInChI=1S/C7H6F3NOS/c1-2-5-4(3-12)11-6(13-5)7(8,9)10/h3H,2H2,1H3
InChIKeyFOJDQQVKCBQBDC-UHFFFAOYSA-N
XLogP2.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Dimethyl-1,3-thiazol-4-yl)ethan-1-one
CID 2530245
2-Trifluoromethyl-5-methyl-4-acetyl-thiazole
CID 19974130
1-[2-Methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 21043934
1-[4-(Difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 59858036
1-(4-Methyl-2-trifluoromethyl-thiazol-5-yl)-ethanone
CID 69350124
5-(2-Hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
CID 129253744
2-(Trifluoromethyl)-5-{2-[(triisopropylsilyl)oxy]ethyl}-1,3-thiazole-4-carbaldehyde
CID 131745395
1-[2-(1,1-Difluoroethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 164015931
2-[4-Methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal
CID 174544853
1-[4-Methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 61392801
1-[4-Methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone
CID 79964582
5-(1,1-Difluoroethyl)-4-methyl-1,3-thiazole-2-carbaldehyde
CID 83853617

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde (CID 130296350) is 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde is CCc1sc(C(F)(F)F)nc1C=O.
What is the InChIKey of 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is FOJDQQVKCBQBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-2-5-4(3-12)11-6(13-5)7(8,9)10/h3H,2H2,1H3.
What are the key properties of 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde?
5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 209.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 130296350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).