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Compound Fr14296

CAT: 0931-Fr14296-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14296-02Size:2 mg
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CAS Number
62347-23-3
Bioactivity
Compound Fr14296, with CAS No. 62347-23-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14296 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.
Smiles
CC(C)Nc1nnc(C)s1
Molecular Formula
C6H11N3S
Molecular Weight
157.237
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Methyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CAS Number62347-23-3
PubChem CID544670
IUPAC Name5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
Molecular FormulaC6H11N3S
Molecular Weight157.24
XLogP1.9
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity107
SMILES
CC1=NN=C(S1)NC(C)C
InChI
InChI=1S/C6H11N3S/c1-4(2)7-6-9-8-5(3)10-6/h4H,1-3H3,(H,7,9)
InChIKey
LJRUOAZKZFJJIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CAS: 62347-23-3
CID: 544670
Formula: C6H11N3S
MW: 157.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.24
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass157.06736854
Monoisotopic Mass157.06736854
Topological Polar Surface Area66.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity107
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
Fr14290-01Compound Fr14290
Fr14291-01Compound Fr14291
Fr14276-01Compound Fr14276
Fr14294-01Compound Fr14294
Fr14292-01Compound Fr14292
Fr14216-01Compound Fr14216
Fr12296-01Compound Fr12296
Fr14396-01Compound Fr14396
Fr14286-01Compound Fr14286
Fr14299-01Compound Fr14299

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HY-U00358Compound 2
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HY-14176-01Compound E
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1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
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