Products for Research Use Only
RegisterLogin

ML416

CAT: 0931-T69968-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T69968-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2043014-84-0
Target
Others
Related Pathways
Others
Bioactivity
ML416 is an inhibitor of HIV-1.
Smiles
N(C(CC1=C(F)C=CS1)=O)(C)C2=NC3=C(S2)CCCC3
Molecular Formula
C14H15FN2OS2
Molecular Weight
310.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(3-fluoro-2-thienyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CAS Number2043014-84-0
PubChem CID91632869
IUPAC Name2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Molecular FormulaC14H15FN2OS2
Molecular Weight310.4
XLogP3.1
Topological Polar Surface Area89.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity371
SMILES
CN(C1=NC2=C(S1)CCCC2)C(=O)CC3=C(C=CS3)F
InChI
InChI=1S/C14H15FN2OS2/c1-17(13(18)8-12-9(15)6-7-19-12)14-16-10-4-2-3-5-11(10)20-14/h6-7H,2-5,8H2,1H3
InChIKey
WHNKINPAYLHJBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-fluoro-2-thienyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CAS: 2043014-84-0
CID: 91632869
Formula: C14H15FN2OS2
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass310.06098362
Monoisotopic Mass310.06098362
Topological Polar Surface Area89.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T8423-01ML417
T16110-01ML418
T8694-01ML406

Alternative Products

CatalogName
MBS5812511ML416

Popular Products