Name: Name:methyl 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate
Brand: Angene
SKU: AG01C3CC
Rating: 90 (10 reviews)

methyl 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate

CAS No.:

82424-65-5

Catalog Number:

AG01C3CC

Molecular Formula:

C12H9F3N2O2S

Molecular Weight:

302.2723

Catalog Number:

AG01C3CC

Chemical Name:

methyl 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate

CAS Number:

82424-65-5

Molecular Formula:

C12H9F3N2O2S

Molecular Weight:

302.2723

MDL Number:

MFCD29060404

IUPAC Name:

methyl 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate

InChI:

InChI=1S/C12H9F3N2O2S/c1-19-11(18)10-8(16)9(17-20-10)6-3-2-4-7(5-6)12(13,14)15/h2-5H,16H2,1H3

InChI Key:

NUBIGKPQVCRUKD-UHFFFAOYSA-N

SMILES:

COC(=O)c1snc(c1N)c1cccc(c1)C(F)(F)F

Complexity:

367

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.271g/mol

Monoisotopic Mass:

302.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6