Name: Name:1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane
Brand: Angene
SKU: AG01AV4U
Rating: 90 (10 reviews)

1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane

CAS No.:

946409-45-6

Catalog Number:

AG01AV4U

Molecular Formula:

C8H11F3N4S

Molecular Weight:

252.2599

Catalog Number:

AG01AV4U

Chemical Name:

1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane

CAS Number:

946409-45-6

Molecular Formula:

C8H11F3N4S

Molecular Weight:

252.2599

MDL Number:

MFCD28023727

IUPAC Name:

2-(1,4-diazepan-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

InChI:

InChI=1S/C8H11F3N4S/c9-8(10,11)6-13-14-7(16-6)15-4-1-2-12-3-5-15/h12H,1-5H2

InChI Key:

SOEBDXCZEZDYPC-UHFFFAOYSA-N

SMILES:

FC(c1nnc(s1)N1CCNCCC1)(F)F

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.259g/mol

Monoisotopic Mass:

252.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4