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14230-00-3 | 4(5H)-Thiazolone, 2-amino-5-(phenylmethylene)-
CAS No: 14230-00-3 Catalog No: AG001I59 MDL No:
Product Description
Catalog Number:
AG001I59
Chemical Name:
4(5H)-Thiazolone, 2-amino-5-(phenylmethylene)-
CAS Number:
14230-00-3
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
IUPAC Name:
2-amino-5-benzylidene-1,3-thiazol-4-one
InChI:
InChI=1S/C10H8N2OS/c11-10-12-9(13)8(14-10)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13)
InChI Key:
SRILECHSVYTLLS-UHFFFAOYSA-N
SMILES:
O=C1N=C(SC1=Cc1ccccc1)N
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Novel human mPGES-1 inhibitors identified through structure-based virtual screening. | Bioorganic & medicinal chemistry 20111015 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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