3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde

C17H10F3NOS — CID 175212407

IUPAC3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nsc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3NOS/c18-17(19,20)13-8-6-12(7-9-13)16-14(10-22)15(21-23-16)11-4-2-1-3-5-11/h1-10H
InChIKeyIYCSFEXXQGSFNV-UHFFFAOYSA-N
MW333.33 g/mol
LogP5.31
Rot. Bonds3

About 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde

3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde (PubChem CID 175212407) has the molecular formula C17H10F3NOS and a molecular weight of 333.33 g/mol. Its IUPAC name is 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde
PubChem CID175212407
Molecular FormulaC17H10F3NOS
Molecular Weight333.33 g/mol
Exact Mass333.04
IUPAC Name3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nsc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3NOS/c18-17(19,20)13-8-6-12(7-9-13)16-14(10-22)15(21-23-16)11-4-2-1-3-5-11/h1-10H
InChIKeyIYCSFEXXQGSFNV-UHFFFAOYSA-N
XLogP5.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.33
LogP ≤ 55.31
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

3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde
CID 175198567
4-chloro-2-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde
CID 80727014
trifluoromethylbenzene;dihydrochloride
CID 171928889
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
5-bromo-3-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123551348
phosphane;trifluoromethylbenzene
CID 175486194
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole
CID 3720994
2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
CID 175968223

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde?
The IUPAC name of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde (CID 175212407) is 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde.
What is the SMILES notation for 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde?
The canonical SMILES for 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde is O=Cc1c(-c2ccccc2)nsc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde?
The InChIKey is IYCSFEXXQGSFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NOS/c18-17(19,20)13-8-6-12(7-9-13)16-14(10-22)15(21-23-16)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde?
3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde has a molecular weight of 333.33 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde is sourced from PubChem (CID 175212407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).