Research chemical
2-((3,5-bis(Trifluoromethyl)phenyl)amino)-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number: 1797782-24-1
Product details
Identity & specification
- Molecular formula
- C13H8F6N2O2S
- Molecular weight
- 370.27 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
75176674
Exact Mass
370.021068
InChIKey
PWPJUPMQEJFHLP-UHFFFAOYSA-N
IUPAC Name
2-[3,5-bis(trifluoromethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILES String
Cc1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1C(=O)O
Physical Properties
Appearance
White to off-white crystalline solid
Physical State
Solid
Melting Point
200.0 °C
Boiling Point
420.0 °C
Density
1.6 g/cm³
Water Solubility
Sparingly soluble
Flash Point
280.0 °C
Show more physical data
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
375.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
24
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
3
Ring count
2
Aromatic rings
2
Topological polar surface area
62.22 Ų
Computed LogP
4.93
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
This compound is a complex organic molecule featuring a thiazole ring, a carboxylic acid group, and a phenyl group substituted with two trifluoromethyl groups.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is suitable for various research applications, including organic synthesis, medicinal chemistry, and as a building block for developing novel chemical structures.
Documentation needs
Handle with appropriate personal protective equipment (PPE), including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Procurement questions
What are the key identifiers for 2-((3,5-bis(Trifluoromethyl)phenyl)amino)-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 1797782-24-1)?
2-((3,5-bis(Trifluoromethyl)phenyl)amino)-4-methyl-1,3-thiazole-5-carboxylic acid is identified by CAS 1797782-24-1, with molecular formula C13H8F6N2O2S, molecular weight 370.27, InChIKey PWPJUPMQEJFHLP-UHFFFAOYSA-N.
Can I request a COA for CAS 1797782-24-1?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 2-((3,5-bis(Trifluoromethyl)phenyl)amino)-4-methyl-1,3-thiazole-5-carboxylic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1797782-24-1 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.