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Compound Fr13035

CAT: 0013-GTR19269869-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269869-02Size:10 mg
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Description
Compound Fr13035, with CAS No. 175202-40-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13035 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
175202-40-1
Smiles
NC (=O) C1=CC=C (S1) C1=NC=CC=C1
Molecular Formula
C10H8N2OS
Molecular Weight
204.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2-Pyridyl)thiophene-2-carboxamide
CAS Number175202-40-1
PubChem CID2778719
IUPAC Name5-pyridin-2-ylthiophene-2-carboxamide
Molecular FormulaC10H8N2OS
Molecular Weight204.25
XLogP1.4
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
C1=CC=NC(=C1)C2=CC=C(S2)C(=O)N
InChI
InChI=1S/C10H8N2OS/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)
InChIKey
BPSZHKPVINNIBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-Pyridyl)thiophene-2-carboxamide
CAS: 175202-40-1
CID: 2778719
Formula: C10H8N2OS
MW: 204.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.25
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass204.03573406
Monoisotopic Mass204.03573406
Topological Polar Surface Area84.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
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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