Home Other Building Blocks 4-AMINO-2-METHYLTHIOTHIAZOLE-5-CARBONITRILE

4-AMINO-2-METHYLTHIOTHIAZOLE-5-CARBONITRILE

CAS No.:
39736-28-2
Catalog Number:
AG00CAVG
Molecular Formula:
C5H5N3S2
Molecular Weight:
171.2433
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Product Description
Catalog Number:
AG00CAVG
Chemical Name:
4-AMINO-2-METHYLTHIOTHIAZOLE-5-CARBONITRILE
CAS Number:
39736-28-2
Molecular Formula:
C5H5N3S2
Molecular Weight:
171.2433
MDL Number:
MFCD00266086
IUPAC Name:
4-amino-2-methylsulfanyl-1,3-thiazole-5-carbonitrile
InChI:
InChI=1S/C5H5N3S2/c1-9-5-8-4(7)3(2-6)10-5/h7H2,1H3
InChI Key:
USUFPYSYQQCDED-UHFFFAOYSA-N
SMILES:
CSc1nc(c(s1)C#N)N
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.992g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.236g/mol
Monoisotopic Mass:
170.992g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties