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900525-26-0 | (R)-3-((6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-yl)thio)-5-ureidoisothiazole-4-carboxamide
CAS No: 900525-26-0 Catalog No: AG01DOF7 MDL No:MFCD17392885
Product Description
Catalog Number:
AG01DOF7
Chemical Name:
(R)-3-((6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-yl)thio)-5-ureidoisothiazole-4-carboxamide
CAS Number:
900525-26-0
MDL Number:
MFCD17392885
IUPAC Name:
5-(carbamoylamino)-3-[[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]sulfanyl]-1,2-thiazole-4-carboxamide
InChI:
InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)/t11-/m1/s1
InChI Key:
ZATWYMPHUYHZKA-LLVKDONJSA-N
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
362.087g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.466g/mol
Monoisotopic Mass:
362.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Identification of 4-aminopyrazolylpyrimidines as potent inhibitors of Trk kinases. | Journal of medicinal chemistry 20080814 |
| Discovery of novel isothiazole inhibitors of the TrkA kinase: structure-activity relationship, computer modeling, optimization, and identification of highly potent antagonists. | Bioorganic & medicinal chemistry letters 20060701 |
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