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69212-62-0 | 2,2-Dimethyl-N-thiazol-2-yl-propionamide
CAS No: 69212-62-0 Catalog No: AG00FHUP MDL No:MFCD00457193
Product Description
Catalog Number:
AG00FHUP
Chemical Name:
2,2-Dimethyl-N-thiazol-2-yl-propionamide
CAS Number:
69212-62-0
Molecular Formula:
C8H12N2OS
Molecular Weight:
184.2587
MDL Number:
MFCD00457193
IUPAC Name:
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
InChI:
InChI=1S/C8H12N2OS/c1-8(2,3)6(11)10-7-9-4-5-12-7/h4-5H,1-3H3,(H,9,10,11)
InChI Key:
CISAFUJYQGBPLZ-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1nccs1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.257g/mol
Monoisotopic Mass:
184.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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