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Compound Fr13095

CAT: 0013-GTR19269876-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269876-01Size:1 mg
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Description
Compound Fr13095, with CAS No. 70446-87-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13095 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
70446-87-6
Smiles
CC1CN=C (Nc2ccc (C) cc2) S1 |t:3|
Molecular Formula
C11H14N2S
Molecular Weight
206.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-methyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CAS Number70446-87-6
PubChem CID609774
IUPAC Name5-methyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
Molecular FormulaC11H14N2S
Molecular Weight206.31
XLogP2.5
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity219
SMILES
CC1CN=C(S1)NC2=CC=C(C=C2)C
InChI
InChI=1S/C11H14N2S/c1-8-3-5-10(6-4-8)13-11-12-7-9(2)14-11/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey
AOYUFMHJLUCTHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-methyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CAS: 70446-87-6
CID: 609774
Formula: C11H14N2S
MW: 206.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.31
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass206.08776963
Monoisotopic Mass206.08776963
Topological Polar Surface Area49.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity219
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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