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874830-88-3 | 4-(Thiazol-2-yl);pyrimidin-2-amine
CAS No: 874830-88-3 Catalog No: AG004FMM MDL No:MFCD00105074
Product Description
Catalog Number:
AG004FMM
Chemical Name:
4-(Thiazol-2-yl);pyrimidin-2-amine
CAS Number:
874830-88-3
Molecular Formula:
C7H6N4S
Molecular Weight:
178.2143
MDL Number:
MFCD00105074
IUPAC Name:
4-(1,3-thiazol-2-yl)pyrimidin-2-amine
InChI:
InChI=1S/C7H6N4S/c8-7-10-2-1-5(11-7)6-9-3-4-12-6/h1-4H,(H2,8,10,11)
InChI Key:
ZYOUDRQLSINHSE-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)c1nccs1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.213g/mol
Monoisotopic Mass:
178.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design. | Bioorganic & medicinal chemistry letters 20111001 |
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