CC618

CAT: 0127-BUP07670-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP07670-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1680204-90-3

Purity

=98%

Smiles

C(NCCS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)(=O)C=2SC(=NC2C)C3=CC=C(C(F)(F)F)C=C3

Chemical Information

4-methyl-2-(4-(trifluoromethyl)phenyl)-N-(2-(5-(trifluoromethyl)-pyridin-2-ylsulfonyl)ethyl)thiazole-5-carboxamide

an antagonist of both PPARbeta and PPARdelta; structure in first source

CAS Number	1680204-90-3
PubChem CID	118734332
IUPAC Name	4-methyl-2-[4-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3-thiazole-5-carboxamide
Molecular Formula	C20H15F6N3O3S2
Molecular Weight	523.5
XLogP	4.6
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	810

SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCCS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)

InChIKey

AZZXDJUUKNGRAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1680204-90-3

CID: 118734332

Formula: C20H15F6N3O3S2

MW: 523.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	523.5
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	523.04590267
Monoisotopic Mass	523.04590267
Topological Polar Surface Area	126 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	810
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
M28891-01	CC618

CC618

Chemical Information

Alternative Products

Popular Products