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

C7H6F3NOS — CID 105462600

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

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

5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 105462600) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID105462600
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESCCc1sc(C=O)nc1C(F)(F)F
InChIInChI=1S/C7H6F3NOS/c1-2-4-6(7(8,9)10)11-5(3-12)13-4/h3H,2H2,1H3
InChIKeyBZXAEEDXFOEZNZ-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde (CID 105462600) is 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde is CCc1sc(C=O)nc1C(F)(F)F.
What is the InChIKey of 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is BZXAEEDXFOEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-2-4-6(7(8,9)10)11-5(3-12)13-4/h3H,2H2,1H3.
What are the key properties of 5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
5-ethyl-4-(trifluoromethyl)-1,3-thiazole-2-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-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 105462600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).