Name: Name:N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Brand: Angene
SKU: AG019NLE
Rating: 90 (10 reviews)

N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

CAS No.:

790681-65-1

Catalog Number:

AG019NLE

Molecular Formula:

C14H10F3N3OS2

Molecular Weight:

357.3739

Catalog Number:

AG019NLE

Chemical Name:

N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

CAS Number:

790681-65-1

Molecular Formula:

C14H10F3N3OS2

Molecular Weight:

357.3739

MDL Number:

MFCD06358643

IUPAC Name:

N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

InChI:

InChI=1S/C14H10F3N3OS2/c1-9(21)20(13-19-11(7-23-13)6-18-8-22)12-4-2-3-10(5-12)14(15,16)17/h2-5,7H,6H2,1H3

InChI Key:

VCJRYZDMXZVGOE-UHFFFAOYSA-N

SMILES:

S=C=NCc1csc(n1)N(c1cccc(c1)C(F)(F)F)C(=O)C

Complexity:

482

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

357.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

357.369g/mol

Monoisotopic Mass:

357.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5