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100114-41-8 | 4-Thiazolepropanoic acid, 2-amino-
CAS No: 100114-41-8 Catalog No: AG000108 MDL No:MFCD07643246
Product Description
Catalog Number:
AG000108
Chemical Name:
4-Thiazolepropanoic acid, 2-amino-
CAS Number:
100114-41-8
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD07643246
IUPAC Name:
3-(2-amino-1,3-thiazol-4-yl)propanoic acid
InChI:
InChI=1S/C6H8N2O2S/c7-6-8-4(3-11-6)1-2-5(9)10/h3H,1-2H2,(H2,7,8)(H,9,10)
InChI Key:
VJYCHPGHOKIDDH-UHFFFAOYSA-N
SMILES:
Nc1nc(cs1)CCC(=O)O
NSC Number:
18510
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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