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

C11H6F3NOS — CID 175198567

IUPAC3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nsc1C(F)(F)F
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)10-8(6-16)9(15-17-10)7-4-2-1-3-5-7/h1-6H
InChIKeyZDJBMKVNHGEMLI-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.64
Rot. Bonds2

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

3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde (PubChem CID 175198567) has the molecular formula C11H6F3NOS and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde
PubChem CID175198567
Molecular FormulaC11H6F3NOS
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC Name3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nsc1C(F)(F)F
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)10-8(6-16)9(15-17-10)7-4-2-1-3-5-7/h1-6H
InChIKeyZDJBMKVNHGEMLI-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.64
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 3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde?
The IUPAC name of 3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde (CID 175198567) is 3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde.
What is the SMILES notation for 3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde?
The canonical SMILES for 3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde is O=Cc1c(-c2ccccc2)nsc1C(F)(F)F.
What is the InChIKey of 3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde?
The InChIKey is ZDJBMKVNHGEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS/c12-11(13,14)10-8(6-16)9(15-17-10)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde?
3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde has a molecular weight of 257.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde is sourced from PubChem (CID 175198567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).