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

C6H4F3NOS — CID 53404413

IUPAC5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c1-3-5(6(7,8)9)10-4(2-11)12-3/h2H,1H3
InChIKeyWKERDXSCGFQZGS-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.28
Rot. Bonds1

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

5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 53404413) has the molecular formula C6H4F3NOS and a molecular weight of 195.16 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID53404413
Molecular FormulaC6H4F3NOS
Molecular Weight195.16 g/mol
Exact Mass195.00
IUPAC Name5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c1-3-5(6(7,8)9)10-4(2-11)12-3/h2H,1H3
InChIKeyWKERDXSCGFQZGS-UHFFFAOYSA-N
XLogP2.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.28
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

4,5-Dimethyl-1,3-thiazole-2-carbaldehyde
CID 14598979
2-Acetyl-4,5-dimethylthiazole
CID 2756272
2,5-Dimethyl-1,3-thiazole-4-carbaldehyde
CID 11029933
2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
CID 43811060
4,5-Dimethyl-2-(trifluoromethyl)-1,3-thiazole
CID 22087235
4,5-Dimethyl-2-trifluoroacetylthiazole
CID 22106689
2,5-Dimethyl-4-(trifluoromethyl)-1,3-thiazole
CID 23392047
4-(Difluoromethyl)-2,5-dimethyl-1,3-thiazole
CID 57838446
2,4-Dimethyl-5-(trifluoromethyl)-1,3-thiazole
CID 59356396
4-(Difluoromethyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 87846809
4-Methyl-2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
CID 118095767
5-(Difluoromethyl)-2,4-dimethyl-1,3-thiazole
CID 146290459

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde (CID 53404413) is 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde is Cc1sc(C=O)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is WKERDXSCGFQZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c1-3-5(6(7,8)9)10-4(2-11)12-3/h2H,1H3.
What are the key properties of 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 195.16 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 53404413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).