Name: Name:2-(4-(2-(TrifluoroMethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylic acid
Brand: Angene
SKU: AG00GYL4
Rating: 90 (10 reviews)

2-(4-(2-(TrifluoroMethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylic acid

CAS No.:

916888-64-7

Catalog Number:

AG00GYL4

Molecular Formula:

C16H14F3N3O3S

Molecular Weight:

385.3609

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Product Description

Catalog Number:

AG00GYL4

Chemical Name:

2-(4-(2-(TrifluoroMethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylic acid

CAS Number:

916888-64-7

Molecular Formula:

C16H14F3N3O3S

Molecular Weight:

385.3609

MDL Number:

MFCD13193184

IUPAC Name:

2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

InChI:

InChI=1S/C16H14F3N3O3S/c17-16(18,19)11-4-2-1-3-10(11)13(23)21-5-7-22(8-6-21)15-20-9-12(26-15)14(24)25/h1-4,9H,5-8H2,(H,24,25)

InChI Key:

PHZDRQUKVAZUCA-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F

Properties

Complexity:

541

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

385.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

385.361g/mol

Monoisotopic Mass:

385.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Thiazole analog as stearoyl-CoA desaturase 1 inhibitor.	Bioorganic & medicinal chemistry letters 20090901