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IND81

CAT: 0931-T25532-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25532-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1426047-52-0
Target
Others
Related Pathways
Others
Bioactivity
IND81 is an antiprion agent that works by extending the lives of prion-infected animals.
Smiles
N(C1=NC(C=2SC(=CC2)C3=CC=CC=N3)=CS1)C4=CC(C)=CC=N4
Molecular Formula
C18H14N4S2
Molecular Weight
350.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine
CAS Number1426047-52-0
PubChem CID46182714
IUPAC NameN-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine
Molecular FormulaC18H14N4S2
Molecular Weight350.5
XLogP4.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity410
SMILES
CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC=C(S3)C4=CC=CC=N4
InChI
InChI=1S/C18H14N4S2/c1-12-7-9-20-17(10-12)22-18-21-14(11-23-18)16-6-5-15(24-16)13-4-2-3-8-19-13/h2-11H,1H3,(H,20,21,22)
InChIKey
XNUBYHLCQNGPAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine
CAS: 1426047-52-0
CID: 46182714
Formula: C18H14N4S2
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass350.06598881
Monoisotopic Mass350.06598881
Topological Polar Surface Area107 Ų
Heavy Atom Count24
Formal Charge0
Complexity410
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

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